Molecule

ID:50034

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂O₂
Molecular Mass
230.6913
Exact Mass
230.08220541
Charge
0
InChI
InChI=1S/C10H14N2O2.ClH/c1-11-7-10(13)12-8-3-5-9(14-2)6-4-8;/h3-6,11H,7H2,1-2H3,(H,12,13);1H
InChIKey
IQXXRZBWXKDGTA-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)Nc1ccc(cc1)OC.Cl
Isomeric Smiles
C(=O)(Nc1ccc(cc1)OC)CNC.Cl
Calculated Properties
JChem
Acid pKa
13.998851
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.2379458
LogD (pH = 7.4)
-0.56244326
Log P
0.56173545
Molar Refractivity
55.5185
Polarizability
21.09207
Polar Surface Area
50.36
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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