Molecule

ID:46809

General Information
Structure
Molecular Formula
C₁₅H₂₄ClNO₂
Molecular Mass
285.80956
Exact Mass
285.14955669
Charge
0
InChI
InChI=1S/C15H23NO2.ClH/c1-17-15-7-5-13(6-8-15)12-18-11-9-14-4-2-3-10-16-14;/h5-8,14,16H,2-4,9-12H2,1H3;1H
InChIKey
ZYXXXPRKFSPBSB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)COCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOCc2ccc(cc2)OC)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.93452394
LogD (pH = 7.4)
-0.4775742
Log P
2.2970407
Molar Refractivity
73.4903
Polarizability
29.068954
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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