Molecule

ID:51299

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄ClNO₂
Molecular Mass
239.69806
Exact Mass
239.07130637
Charge
0
InChI
InChI=1S/C12H13NO2.ClH/c14-11-9-3-1-2-4-10(9)12(15-11)5-7-13-8-6-12;/h1-4,13H,5-8H2;1H
InChIKey
JDUFOCPANLQXPS-UHFFFAOYSA-N
Canonic Smiles
O=C1OC2(c3c1cccc3)CCNCC2.Cl
Isomeric Smiles
C1(=O)OC2(c3c1cccc3)CCNCC2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0921407
LogD (pH = 7.4)
-1.084437
Log P
1.095477
Molar Refractivity
56.6839
Polarizability
22.173626
Polar Surface Area
38.33
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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