CC1=CC(=CC(=C1)Cl)C2(CCC2)C#N
Name: 1-(3-chloro-5-methylphenyl)cyclobutane-1-carbonitrile
SMILES: CC1=CC(=CC(=C1)Cl)C2(CCC2)C#N

Molecular Processing

Molecular formula
C12H12ClN
Molecular weight
205.69
Exact mass
205.0658
XLogP
3.59
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
57.33

Supplementary Information

InChIKey: PPYYMCLXICLFEI-UHFFFAOYSA-N
Synonyme
SCHEMBL2391PPYYMCLXICLFEI-UHFFFAOYSA-N1-(3-chloro-5-methylphenyl)-1-cyclobutanecarbonitrile
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