Molecule

ID:112221

General Information
Structure
MolImage
Molecular Formula
C₁₄H₇ClO₄
Molecular Mass
274.65598
Exact Mass
274.00328638
Charge
0
InChI
InChI=1S/C14H7ClO4/c15-8-5-9(16)10-11(14(8)19)13(18)7-4-2-1-3-6(7)12(10)17/h1-5,16,19H
InChIKey
UJCPMVFRZRPROL-UHFFFAOYSA-N
Canonic Smiles
Oc1c(Cl)cc(c2c1C(=O)c1ccccc1C2=O)O
Isomeric Smiles
Oc1cc(Cl)c(O)c2c1C(=O)c1ccccc1C2=O
Calculated Properties
JChem
Acid pKa
8.488271
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
4.215178
LogD (pH = 7.4)
4.1818166
Log P
4.21562
Molar Refractivity
69.9176
Polarizability
26.458748
Polar Surface Area
74.6
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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