Molecule

ID:101634

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClO₃
Molecular Mass
254.7094
Exact Mass
254.07097202
Charge
0
InChI
InChI=1S/C13H15ClO3/c1-16-11-7-6-9(13(14)15)8-12(11)17-10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKey
OWWHXPWJCDTADU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1OC1CCCC1)C(=O)Cl
Isomeric Smiles
c1(cc(C(=O)Cl)ccc1OC)OC1CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2035177
LogD (pH = 7.4)
3.2035177
Log P
3.2035177
Molar Refractivity
66.5123
Polarizability
25.774971
Polar Surface Area
35.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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