Name: methyl 3-(3-hexenyl)-5-chlorosalicylate
SMILES:
CCC=CCCc1cc(Cl)cc(C(=O)OC)c1OMolecular Processing
Molecular formula
C14H17ClO3
Molecular weight
268.74
Exact mass
268.0866
XLogP
3.73
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
72.21
Supplementary Information
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