Molecule

ID:46372

General Information
Structure
Molecular Formula
C₁₅H₂₄ClNO₂
Molecular Mass
285.80956
Exact Mass
285.14955669
Charge
0
InChI
InChI=1S/C15H23NO2.ClH/c1-17-15-7-3-2-6-14(15)12-18-10-8-13-5-4-9-16-11-13;/h2-3,6-7,13,16H,4-5,8-12H2,1H3;1H
InChIKey
TXONWGNQBZVBGG-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1COCCC1CCCNC1.Cl
Isomeric Smiles
c1(c(OC)cccc1)COCCC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.99404347
LogD (pH = 7.4)
-0.6180006
Log P
2.240279
Molar Refractivity
73.6637
Polarizability
29.069275
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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