Molecule

ID:44465

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClO₃
Molecular Mass
262.68834
Exact Mass
262.03967189
Charge
0
InChI
InChI=1S/C14H11ClO3/c15-11-6-7-13(10(8-11)9-14(16)17)18-12-4-2-1-3-5-12/h1-8H,9H2,(H,16,17)
InChIKey
PKMKNEIUKHPJAX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1cc(Cl)ccc1Oc1ccccc1
Isomeric Smiles
c1(c(Oc2ccccc2)ccc(c1)Cl)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.7380779
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9533087
LogD (pH = 7.4)
0.42559662
Log P
3.715326
Molar Refractivity
68.4112
Polarizability
26.71788
Polar Surface Area
46.53
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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