CS(=O)(=O)O.O=c1[nH]c2cc(Cl)c(Cl)cc2n1CCCO
名称: 5,6-dichloro-1,3-dihydro-1-(3-hydroxypropyl)-2H-benzimidazol-2-one methanesulfonate
SMILES: CS(=O)(=O)O.O=c1[nH]c2cc(Cl)c(Cl)cc2n1CCCO

Molecular Processing

Molecular formula
C11H14Cl2N2O5S
Molecular weight
357.22
Exact mass
356
XLogP
1.52
TPSA
112.39
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.364
Molar refractivity
81.75

Supplementary Information

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