Molecule

ID:46388

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-13-4-2-5-15(10-13)12-17-9-7-14-6-3-8-16-11-14;/h2,4-5,10,14,16H,3,6-9,11-12H2,1H3;1H
InChIKey
JNJKBHWEHMGUBH-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)COCCC1CCCNC1.Cl
Isomeric Smiles
N1CC(CCOCc2cc(ccc2)C)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.32295084
LogD (pH = 7.4)
0.05309205
Log P
2.9113715
Molar Refractivity
72.2417
Polarizability
28.340586
Polar Surface Area
21.26
Rotatable Bonds
5
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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