Molecule

ID:19832

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇ClN₂O₂
Molecular Mass
292.76068
Exact Mass
292.09785547
Charge
0
InChI
InChI=1S/C15H16N2O2.ClH/c1-10-6-7-15(14(16)8-10)19-13-5-3-4-12(9-13)17-11(2)18;/h3-9H,16H2,1-2H3,(H,17,18);1H
InChIKey
UNBIXAVFNJXYDD-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1)Oc1ccc(cc1N)C.Cl
Isomeric Smiles
c1(c(cc(cc1)C)N)Oc1cc(NC(=O)C)ccc1.Cl
Calculated Properties
JChem
Acid pKa
13.914504
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.393424
LogD (pH = 7.4)
2.3957095
Log P
2.3957388
Molar Refractivity
76.9034
Polarizability
28.43889
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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