Molecule

ID:88503

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClNO
Molecular Mass
225.71454
Exact Mass
225.09204182
Charge
0
InChI
InChI=1S/C12H15NO.ClH/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11;/h1-5H,6-10H2;1H
InChIKey
IPFLWJCPYGCLHG-UHFFFAOYSA-N
Canonic Smiles
O=C1CCN(CC1)Cc1ccccc1.Cl
Isomeric Smiles
N1(Cc2ccccc2)CCC(=O)CC1.Cl
Calculated Properties
JChem
Acid pKa
17.897705
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.54447687
LogD (pH = 7.4)
1.7927368
Log P
1.8976059
Molar Refractivity
57.0761
Polarizability
22.258698
Polar Surface Area
20.31
Rotatable Bonds
2
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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