Molecule

ID:51470

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈ClNO₄
Molecular Mass
289.67062
Exact Mass
289.01418542
Charge
0
InChI
InChI=1S/C14H8ClNO4/c15-9-6-10-12(20-14(18)16-10)11(7-9)19-13(17)8-4-2-1-3-5-8/h1-7H,(H,16,18)
InChIKey
RPRIJFCOWABWHZ-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(OC(=O)c2ccccc2)c2c(c1)[nH]c(=O)o2
Isomeric Smiles
c12c([nH]c(=O)o2)cc(cc1OC(=O)c1ccccc1)Cl
Calculated Properties
JChem
Acid pKa
9.270552
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5970368
LogD (pH = 7.4)
3.591586
Log P
3.5971067
Molar Refractivity
72.8719
Polarizability
27.407534
Polar Surface Area
64.63
Rotatable Bonds
3
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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