General
Preferred name
chlorobenzylidene malononitrile
Synonyms
P&D ID
PD049437
CAS
2698-41-1
Tags
available
drug candidate
Drug indication
Discovery agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
7
Concise Guide to Pharmacology 2017/18
4158
Concise Guide to Pharmacology 2019/20
4158
Concise Guide to Pharmacology 2021/22
4158
Concise Guide to Pharmacology 2023/24
4158
DrugMAP
DMLF7MK
EU-OPENSCREEN Bioactive Compound Library
EOS102085
Guide to Pharmacology
4158
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
188.01
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
2.77
TPSA
47.58
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.64
Structural alerts
1
ene_cyano_A(19)
[#6](-[#6]#[#7])(-[#6]#[#7])=[#6]-c:1:c:c:c:c:c:1
PAINS Family B
Custom attributes
(extracted from source data)
Source data