Molecule

ID:40266

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClO₃
Molecular Mass
274.69904
Exact Mass
274.03967189
Charge
0
InChI
InChI=1S/C15H11ClO3/c16-12-6-8-13(9-7-12)19-14-4-2-1-3-11(14)5-10-15(17)18/h1-10H,(H,17,18)/b10-5+
InChIKey
TXPGWTODSAWEEM-BJMVGYQFSA-N
Canonic Smiles
OC(=O)/C=C/c1ccccc1Oc1ccc(cc1)Cl
Isomeric Smiles
C(=C\C(=O)O)/c1c(Oc2ccc(Cl)cc2)cccc1
Calculated Properties
JChem
Acid pKa
3.749194
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4891412
LogD (pH = 7.4)
0.9554382
Log P
4.240418
Molar Refractivity
74.1055
Polarizability
28.383768
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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