CCCSc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccccc1Cl
名称: iii
SMILES: CCCSc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccccc1Cl

Molecular Processing

Molecular formula
C21H21ClN2O2S2
Molecular weight
433
Exact mass
432.0733
XLogP
5.86
TPSA
55.12
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
28
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
0.238
Molar refractivity
117.43

Supplementary Information

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