General
Preferred name
PHENOL
Synonyms
AMMONIUM PHENOLATE ()
PHENOLATE SODIUM ()
Phenic acid ()
S.B. Ward ()
2-allphenol ()
Phenol, liquified ()
Carbolic Acid ()
Liquified phenol ()
Phenol,liquified ()
Phenylic alcohol ()
ENT-1814 ()
Salicylic acid related compound c ()
Carbolicum acidum ()
NSC-36808 ()
Chloraseptic ()
Liquefied phenol ()
Phenol, liquefied ()
Phenol, sodium salt ()
Phenol sodium salt ()
Sodium phenoxide ()
Phenol-13C6 ()
P&D ID
PD009382
CAS
217182-77-9
5973-17-1
27073-41-2
63496-48-0
73607-76-8
61788-41-8
1336-35-2
108-95-2
139-02-6
89059-34-7
Tags
drug candidate
nuisance
natural product
drug
available
Approved by
FDA
Drug Status
experimental
approved
Max Phase
Phase 4
Drug indication
Disinfectant,Pharmaceutic Aid (preservative)
Disinfectant
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
TOXICITY Mouse, Subcutaneous, LD50: 0.3-0.35 g/kg. (Duplay and Cazin, 1891; Tollens, 1905).; Rat, Subcutaneous, LD50: 0.45. (Deichmann and Witherup, 1944).; Rat, Oral, LD50: 0.53. (Deichmann and Witherup, 1944).; Rat, Oral, LD50: 0.65. (Flickinger, 1976).; Rat, Cutaneous, LD50: 0.67. (Conning and Hayes, 1970).;
Cell lines
1
Organisms
0
Compound Sets
16
Cayman Chemical Bioactives
30526
ChEMBL Approved Drugs
CHEMBL14060
ChEMBL Drugs
CHEMBL14060
CHEMBL2107497
Drug Repurposing Hub
DrugBank
DB03255
DrugBank Approved Drugs
DB03255
DrugCentral
4266
DrugCentral Approved Drugs
4266
DrugMAP
DM1QSM3
DrugMatrix
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL14060
NCATS Inxight Approved Drugs
4O42PIY058
NPC Screening Collection
Nuisance compounds in cellular assays
ReFrame library
ZINC Tool Compounds
ZINC000005133329
External IDs
79
Properties
(calculated by RDKit )
Molecular Weight
94.04
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
1
cLogP
1.39
TPSA
20.23
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.51
Structural alerts
1
Redox
Redox cycling
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Indication
pharyngitis
Target
CA1, CA12, CA14, CA2, CA4, CA9
Source data