名称: 1,3-dihydro-1-(3-hydroxypropyl)-5-methyl-2H-benzimidazol-2-one methanesulfonate
SMILES:
CS(=O)(=O)O.Cc1ccc2c(c1)[nH]c(=O)n2CCCOMolecular Processing
Molecular formula
C12H18N2O5S
Molecular weight
302.35
Exact mass
302.0936
XLogP
0.52
TPSA
112.39
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.417
Molar refractivity
76.47
Supplementary Information
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