SMILES:
N#Cc1ccc(SCc2ccccc2)c([N+](=O)[O-])c1Molecular Processing
Molecular formula
C14H10N2O2S
Molecular weight
270.31
Exact mass
270.0463
XLogP
3.76
TPSA
66.93
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
73.81
Supplementary Information
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