Molecule

ID:85229

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁ClN₂O
Molecular Mass
280.79304
Exact Mass
280.13424098
Charge
0
InChI
InChI=1S/C15H21ClN2O/c1-12(16)15(19)17-14-7-9-18(10-8-14)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,17,19)
InChIKey
XWIKFLBCYBWMDX-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)NC1CCN(CC1)Cc1ccccc1)Cl
Isomeric Smiles
N(C1CCN(CC1)Cc1ccccc1)C(=O)C(Cl)C
Calculated Properties
JChem
Acid pKa
13.437812
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.92400813
LogD (pH = 7.4)
0.8004647
Log P
2.050775
Molar Refractivity
78.6734
Polarizability
30.723328
Polar Surface Area
32.34
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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