O=C(Cl)C1CCCCCC1
Name: cycloheptanoyl chloride
SMILES: O=C(Cl)C1CCCCCC1

Molecular Processing

Molecular formula
C8H13ClO
Molecular weight
160.64
Exact mass
160.0655
XLogP
2.72
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
42.05

Supplementary Information

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