Molecule

ID:61313

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉ClO₃
Molecular Mass
272.68316
Exact Mass
272.02402183
Charge
0
InChI
InChI=1S/C15H9ClO3/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,17H
InChIKey
CAMGISMGOXUYFB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O
Isomeric Smiles
c1(c(=O)c2c(oc1)cc(cc2)O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
6.478091
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5949342
LogD (pH = 7.4)
2.6915495
Log P
3.6380477
Molar Refractivity
72.5259
Polarizability
27.744337
Polar Surface Area
46.53
Rotatable Bonds
1
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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