Molecule

ID:16773

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClN₂O₂
Molecular Mass
266.7234
Exact Mass
266.08220541
Charge
0
InChI
InChI=1S/C13H14N2O2.ClH/c1-10-14-5-6-15(10)8-12-7-11(9-16)3-4-13(12)17-2;/h3-7,9H,8H2,1-2H3;1H
InChIKey
BCALKMWLCHJPMP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1Cn1ccnc1C)C=O.Cl
Isomeric Smiles
n1(c(ncc1)C)Cc1c(ccc(c1)C=O)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.47294763
LogD (pH = 7.4)
1.2504729
Log P
1.4808208
Molar Refractivity
66.01
Polarizability
24.672789
Polar Surface Area
44.12
Rotatable Bonds
4
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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