Molecule

ID:45384

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O₂
Molecular Mass
236.65436
Exact Mass
236.03525522
Charge
0
InChI
InChI=1S/C11H9ClN2O2/c12-8-4-3-7(13)6-9(8)14-11(15)10-2-1-5-16-10/h1-6H,13H2,(H,14,15)
InChIKey
KKOYVDRWJKRGRF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)NC(=O)c1ccco1)Cl
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1Cl)c1occc1
Calculated Properties
JChem
Acid pKa
10.093634
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.899043
LogD (pH = 7.4)
1.9004345
Log P
1.900496
Molar Refractivity
63.4876
Polarizability
22.867779
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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