trivial
Ro5-4864
CHLORDIAZEPAM
systemic
7-Chloro-5-(4-chlorophenyl)-1-methyl-3'H'-1,4-benzodiazepin-2-one
Ro5-4864
CHLORDIAZEPAM
systemic
7-Chloro-5-(4-chlorophenyl)-1-methyl-3'H'-1,4-benzodiazepin-2-one
Identifiers
InChIKey: PUMYFTJOWAJIKF-UHFFFAOYSA-N
Formula: C16H12Cl2N2O
CAS Registry numbers:
14439-61-3
Descriptors
Bioavailability-related
Molecular weight: 318.03 DaPartition coefficient: 3.81
H bond donors: 0
H bond acceptors: 3
Rotatable bonds: 1
Molar refractivity: 86.82 J mol-1 K-1
Polar surface area: 32.67 Å2
Generic
Stereocenters: 0Heteroatoms: 5
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 1
Ring-related
Rings: 3Heterocycles: 1
Aromatic rings: 2
Aromatic carbocycles: 2
Aromatic heterocycles: 0
Aliphatic rings: 1
Aliphatic carbocycles: 0
Aliphatic heterocycles: 1