Molecule

ID:44461

General Information
Structure
Molecular Formula
C₁₅H₂₄ClNO₃
Molecular Mass
301.80896
Exact Mass
301.14447131
Charge
0
InChI
InChI=1S/C15H23NO3.ClH/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3;/h4-8,12-13,16-17H,1,9-11H2,2-3H3;1H
InChIKey
COAJXCLTPGGDAJ-UHFFFAOYSA-N
Canonic Smiles
C=CCOc1ccccc1OCC(CNC(C)C)O.Cl
Isomeric Smiles
O(c1c(OCC=C)cccc1)CC(CNC(C)C)O.Cl
Calculated Properties
JChem
Acid pKa
14.08779
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.0254339
LogD (pH = 7.4)
-0.057440292
Log P
2.1677978
Molar Refractivity
76.0014
Polarizability
30.160152
Polar Surface Area
50.72
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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