이름: 10-[(4-chloro-2-methylphenoxy)acetyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine
SMILES:
Cc1cc(Cl)ccc1OCC(=O)N1Cc2cccn2Cc2ccccc21Molecular Processing
Molecular formula
C21H19ClN2O2
Molecular weight
366.85
Exact mass
366.1135
XLogP
4.42
TPSA
34.47
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
102.85
Supplementary Information
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