이름: 4-mercapto-3-nitrobenzonitrile
SMILES:
N#Cc1ccc(S)c([N+](=O)[O-])c1Molecular Processing
Molecular formula
C7H4N2O2S
Molecular weight
180.19
Exact mass
179.9993
XLogP
1.76
TPSA
66.93
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
45.06
Supplementary Information
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