Molecule

ID:46411

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-13-2-4-15(5-3-13)12-17-11-8-14-6-9-16-10-7-14;/h2-5,14,16H,6-12H2,1H3;1H
InChIKey
SBYQWOWQEVOFPH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)COCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOCc2ccc(cc2)C)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.39816794
LogD (pH = 7.4)
0.05822191
Log P
2.833418
Molar Refractivity
72.3187
Polarizability
28.340538
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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