C=CCN(CC=C)C(C#N)c1ccc(S(=O)(=O)CCC)cc1
名称: (diallylamino)[4-(propylsulphonyl)phenyl]acetonitrile
SMILES: C=CCN(CC=C)C(C#N)c1ccc(S(=O)(=O)CCC)cc1

Molecular Processing

Molecular formula
C17H22N2O2S
Molecular weight
318.44
Exact mass
318.1402
XLogP
3.11
TPSA
61.17
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
89.11

Supplementary Information

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