Name: 3-methyl-4-{[(3S)-3-methyl-1-piperazinyl]sulfonyl}benzonitrile
SMILES:
Cc1cc(C#N)ccc1S(=O)(=O)N1CCN[C@@H](C)C1Molecular Processing
Molecular formula
C13H17N3O2S
Molecular weight
279.37
Exact mass
279.1041
XLogP
0.85
TPSA
73.2
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
72.12
Supplementary Information
Details werden geladen…
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