O=c1c(=NNC(=S)Nc2ccccc2)c(=O)c2cc(O)ccc12
SMILES: O=c1c(=NNC(=S)Nc2ccccc2)c(=O)c2cc(O)ccc12

Molecular Processing

Molecular formula
C16H11N3O3S
Molecular weight
325.35
Exact mass
325.0521
XLogP
0.94
TPSA
90.79
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
91.89

Supplementary Information

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