C=CCC1(Cl)C(=O)CCCC1=O
SMILES: C=CCC1(Cl)C(=O)CCCC1=O

Molecular Processing

Molecular formula
C9H11ClO2
Molecular weight
186.64
Exact mass
186.0448
XLogP
1.86
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
47.26

Supplementary Information

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