O=C(N=C=S)c1ccc([N+](=O)[O-])cc1
SMILES: O=C(N=C=S)c1ccc([N+](=O)[O-])cc1

Molecular Processing

Molecular formula
C8H4N2O3S
Molecular weight
208.2
Exact mass
207.9943
XLogP
1.84
TPSA
72.57
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
52.45

Supplementary Information

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