Molecule

ID:76280

General Information
Structure
Molecular Formula
C₁₀H₁₃Cl₂NO
Molecular Mass
234.12232
Exact Mass
233.0374194
Charge
0
InChI
InChI=1S/C10H12ClNO.ClH/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10;/h1-4,10,12H,5-7H2;1H
InChIKey
VUEDLLVHFJZRCC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C1OCCNC1.Cl
Isomeric Smiles
N1CC(c2ccc(cc2)Cl)OCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5290928
LogD (pH = 7.4)
1.2051457
Log P
1.976906
Molar Refractivity
52.8555
Polarizability
21.039347
Polar Surface Area
21.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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