Molecule

ID:124939

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO₃
Molecular Mass
251.6657
Exact Mass
251.03492087
Charge
0
InChI
InChI=1S/C12H10ClNO3/c13-8-1-3-9(4-2-8)14-7-10-5-6-11(17-10)12(15)16/h1-6,14H,7H2,(H,15,16)
InChIKey
BFTAKSCZFMIYSA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)NCc1ccc(o1)C(=O)O
Isomeric Smiles
c1(oc(cc1)CNc1ccc(Cl)cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.2881684
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.0573365
LogD (pH = 7.4)
-1.0464686
Log P
1.9557348
Molar Refractivity
65.1938
Polarizability
24.025007
Polar Surface Area
62.47
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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