Molecule

ID:46671

General Information
Structure
Molecular Formula
C₁₅H₂₄ClNO₂
Molecular Mass
285.80956
Exact Mass
285.14955669
Charge
0
InChI
InChI=1S/C15H23NO2.ClH/c1-12-3-4-14(15(11-12)17-2)18-10-7-13-5-8-16-9-6-13;/h3-4,11,13,16H,5-10H2,1-2H3;1H
InChIKey
JGZTXFIADTXBTM-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)ccc1OCCC1CCNCC1.Cl
Isomeric Smiles
c1(c(ccc(c1)C)OCCC1CCNCC1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5892872
LogD (pH = 7.4)
-0.13289723
Log P
2.6422985
Molar Refractivity
73.678
Polarizability
28.981342
Polar Surface Area
30.49
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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