이름: 7-chloro-5-phenyl-1H-1,5-benzodiazepin-4-one-2-thione
SMILES:
O=C1CC(=S)Nc2ccc(Cl)cc2N1c1ccccc1Molecular Processing
Molecular formula
C15H11ClN2OS
Molecular weight
302.79
Exact mass
302.0281
XLogP
4.15
TPSA
32.34
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
85.88
Supplementary Information
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