Name: N-(3-carboxy-methyl-5-phenyl-2-thienyl)-cyclohexane carboxamide
SMILES:
Cc1c(-c2ccccc2)sc(NC(=O)C2CCCCC2)c1C(=O)OMolecular Processing
Molecular formula
C19H21NO3S
Molecular weight
343.45
Exact mass
343.1242
XLogP
4.94
TPSA
66.4
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
96.66
Supplementary Information
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