SMILES:
CC1(C)CCC(Cc2ccc(Cl)cc2)C1=OMolecular Processing
Molecular formula
C14H17ClO
Molecular weight
236.74
Exact mass
236.0968
XLogP
3.89
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
66.67
Supplementary Information
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