Molecule

ID:23129

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(6-9(8)13)14-11(15)10-2-1-5-16-10/h1-6H,13H2,(H,14,15)
InChIKey
GIEYDJPZTRKYKU-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccco1)Nc1ccc(c(c1)N)Cl
Isomeric Smiles
C(=O)(c1occc1)Nc1cc(c(cc1)Cl)N
Calculated Properties
JChem
Acid pKa
11.0107355
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.9002852
LogD (pH = 7.4)
1.9003922
Log P
1.900496
Molar Refractivity
63.4876
Polarizability
22.866676
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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