SMILES:
O=C1C=C(Cl)CCC1Molecular Processing
Molecular formula
C6H7ClO
Molecular weight
130.57
Exact mass
130.0185
XLogP
1.86
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
32.79
Supplementary Information
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