Molecule

ID:46321

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO₂
Molecular Mass
285.80956
Exact Mass
285.14955669
Charge
0
InChI
InChI=1S/C15H23NO2.ClH/c1-2-7-15(8-3-1)18-13-12-17-11-9-14-6-4-5-10-16-14;/h1-3,7-8,14,16H,4-6,9-13H2;1H
InChIKey
RABZNBAQHQMKDK-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CCOCCOc1ccccc1.Cl
Isomeric Smiles
N1C(CCOCCOc2ccccc2)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.85727644
LogD (pH = 7.4)
-0.40033346
Log P
2.3742886
Molar Refractivity
72.9667
Polarizability
29.075481
Polar Surface Area
30.49
Rotatable Bonds
7
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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