Molecule

ID:48886

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃ClN₂O
Molecular Mass
282.80892
Exact Mass
282.14989105
Charge
0
InChI
InChI=1S/C15H22N2O.ClH/c16-14(12-13-8-4-3-5-9-13)15(18)17-10-6-1-2-7-11-17;/h3-5,8-9,14H,1-2,6-7,10-12,16H2;1H
InChIKey
YIERDAILAVOTBY-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)N1CCCCCC1)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(N1CCCCCC1)C(Cc1ccccc1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.37858418
LogD (pH = 7.4)
1.315401
Log P
2.0129595
Molar Refractivity
73.4749
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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