Molecule

ID:113282

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClNO₃
Molecular Mass
275.6871
Exact Mass
275.03492087
Charge
0
InChI
InChI=1S/C14H10ClNO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChIKey
XSSZPZGQMKGAKN-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)NC(=O)c1ccccc1C(=O)O
Isomeric Smiles
C(=O)(c1c(C(=O)O)cccc1)Nc1cc(Cl)ccc1
Calculated Properties
JChem
Acid pKa
2.910289
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.7831595
LogD (pH = 7.4)
-0.15756254
Log P
3.3267581
Molar Refractivity
73.6525
Polarizability
27.164425
Polar Surface Area
66.4
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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