Molecule

ID:119802

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClN₂O₂
Molecular Mass
266.7234
Exact Mass
266.08220541
Charge
0
InChI
InChI=1S/C13H14N2O2.ClH/c16-9-5-6-11-10(8-9)13(17)15-7-3-1-2-4-12(15)14-11;/h5-6,8,16H,1-4,7H2;1H
InChIKey
DLEXTERELQZANX-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)c(=O)n1c(n2)CCCCC1.Cl
Isomeric Smiles
n12c(=O)c3c(nc1CCCCC2)ccc(c3)O.Cl
Calculated Properties
JChem
Acid pKa
8.681044
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8460027
LogD (pH = 7.4)
1.8421963
Log P
1.8096915
Molar Refractivity
66.3648
Polarizability
24.072456
Polar Surface Area
52.9
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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