Molecule

ID:132241

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClN₂O₂
Molecular Mass
268.73928
Exact Mass
268.09785547
Charge
0
InChI
InChI=1S/C13H16N2O2.ClH/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12;/h3-6,8,11,15H,2,7,14H2,1H3;1H
InChIKey
PESYCVVSLYSXAK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(Cc1c[nH]c2c1cccc2)N.Cl
Isomeric Smiles
CCOC(=O)C(Cc1c[nH]c2c1cccc2)N.Cl
Calculated Properties
JChem
Acid pKa
16.14567
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.25603005
LogD (pH = 7.4)
1.5557034
Log P
1.679079
Molar Refractivity
65.7205
Polarizability
27.042406
Polar Surface Area
68.11
Rotatable Bonds
5
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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