이름: 8-chloro-1-phenyl-1H-1,5-benzodiazepin-2,4-(3H,5H)-dithione
SMILES:
S=C1CC(=S)N(c2ccccc2)c2cc(Cl)ccc2N1Molecular Processing
Molecular formula
C15H11ClN2S2
Molecular weight
318.85
Exact mass
318.0052
XLogP
4.95
TPSA
15.27
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
93.47
Supplementary Information
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