Molecule

ID:31203

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O₂
Molecular Mass
242.702
Exact Mass
242.08220541
Charge
0
InChI
InChI=1S/C11H14N2O2.ClH/c1-15-7-2-3-10-9(6-7)8(4-5-12)11(14)13-10;/h2-3,6,8H,4-5,12H2,1H3,(H,13,14);1H
InChIKey
KOGOLQYANYFEAH-UHFFFAOYSA-N
Canonic Smiles
COc1cc2C(CCN)C(=O)Nc2cc1.Cl
Isomeric Smiles
C1(=O)Nc2c(C1CCN)cc(cc2)OC.Cl
Calculated Properties
JChem
Acid pKa
13.283039
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.653023
LogD (pH = 7.4)
-1.9707141
Log P
0.35837346
Molar Refractivity
58.8098
Polarizability
22.20218
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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