Molecule

ID:19528

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅ClN₂O₂
Molecular Mass
278.7341
Exact Mass
278.08220541
Charge
0
InChI
InChI=1S/C14H14N2O2.ClH/c1-10(17)16-11-5-4-6-12(9-11)18-14-8-3-2-7-13(14)15;/h2-9H,15H2,1H3,(H,16,17);1H
InChIKey
AAUQTOOIMFVVPN-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1)Oc1ccccc1N.Cl
Isomeric Smiles
O(c1ccccc1N)c1cc(NC(=O)C)ccc1.Cl
Calculated Properties
JChem
Acid pKa
13.914497
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8808641
LogD (pH = 7.4)
1.882299
Log P
1.8823174
Molar Refractivity
71.8622
Polarizability
26.674414
Polar Surface Area
64.35
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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