Molecule

ID:14726

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O₂
Molecular Mass
236.65436
Exact Mass
236.03525522
Charge
0
InChI
InChI=1S/C11H9ClN2O2/c12-8-6-7(13)3-4-9(8)14-11(15)10-2-1-5-16-10/h1-6H,13H2,(H,14,15)
InChIKey
XGIDNOGYXJDQFW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)NC(=O)c1ccco1
Isomeric Smiles
c1(NC(=O)c2ccco2)c(cc(cc1)N)Cl
Calculated Properties
JChem
Acid pKa
9.896963
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8989912
LogD (pH = 7.4)
1.8991642
Log P
1.900496
Molar Refractivity
63.4876
Polarizability
22.879316
Polar Surface Area
68.26
Rotatable Bonds
2
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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