Molecule

ID:126634

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄ClNO₂
Molecular Mass
239.69806
Exact Mass
239.07130637
Charge
0
InChI
InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
InChIKey
KIEDNEWSYUYDSN-UHFFFAOYSA-N
Canonic Smiles
O=C1N(OCC1(C)C)Cc1ccccc1Cl
Isomeric Smiles
Clc1ccccc1CN1OCC(C1=O)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.934027
LogD (pH = 7.4)
2.934027
Log P
2.934027
Molar Refractivity
62.2427
Polarizability
24.434645
Polar Surface Area
29.54
Rotatable Bonds
2
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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