الاسم: 2-(4-chlorophenyl)-4-(2-thienyl)butyronitrile
SMILES:
N#CC(CCc1cccs1)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C14H12ClNS
Molecular weight
261.78
Exact mass
261.0379
XLogP
4.64
TPSA
23.79
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
72.45
Supplementary Information
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