Molecule

ID:48883

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃ClN₂O
Molecular Mass
282.80892
Exact Mass
282.14989105
Charge
0
InChI
InChI=1S/C15H22N2O.ClH/c1-12-7-9-17(10-8-12)15(18)14(16)11-13-5-3-2-4-6-13;/h2-6,12,14H,7-11,16H2,1H3;1H
InChIKey
LOYSYJHMNZGMJR-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)N1CCC(CC1)C)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(N1CCC(CC1)C)C(Cc1ccccc1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5361337
LogD (pH = 7.4)
1.1578515
Log P
1.8554097
Molar Refractivity
73.4225
Polarizability
28.918991
Polar Surface Area
46.33
Rotatable Bonds
3
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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