이름: 5-(Chloromethyl)-2-cyclopentylbenzonitrile
SMILES:
N#Cc1cc(CCl)ccc1C1CCCC1Molecular Processing
Molecular formula
C13H14ClN
Molecular weight
219.71
Exact mass
219.0815
XLogP
3.95
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
15
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
0.462
Molar refractivity
61.92
Supplementary Information
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