SMILES:
C=CCC(O)(CCCl)c1ccccc1Molecular Processing
Molecular formula
C12H15ClO
Molecular weight
210.7
Exact mass
210.0811
XLogP
3.08
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
60.49
Supplementary Information
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