Molecule

ID:46483

General Information
Structure
Molecular Formula
C₁₅H₂₄ClNO₂
Molecular Mass
285.80956
Exact Mass
285.14955669
Charge
0
InChI
InChI=1S/C15H23NO2.ClH/c1-2-17-14-5-3-4-6-15(14)18-12-9-13-7-10-16-11-8-13;/h3-6,13,16H,2,7-12H2,1H3;1H
InChIKey
JSOSLZLYEDXTFK-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1OCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOc2c(OCC)cccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.74590063
LogD (pH = 7.4)
-0.28951067
Log P
2.485685
Molar Refractivity
73.3854
Polarizability
29.06007
Polar Surface Area
30.49
Rotatable Bonds
6
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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