SMILES:
CC=CCC1Cc2c(Cl)cccc2C1=OMolecular Processing
Molecular formula
C13H13ClO
Molecular weight
220.7
Exact mass
220.0655
XLogP
3.66
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
62.41
Supplementary Information
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