SMILES:
CC(CC(=O)Cl)CC(C)(C)CMolecular Processing
Molecular formula
C9H17ClO
Molecular weight
176.69
Exact mass
176.0968
XLogP
3.21
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
48.71
Supplementary Information
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