Molecule

ID:47378

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO₃
Molecular Mass
301.80896
Exact Mass
301.14447131
Charge
0
InChI
InChI=1S/C15H23NO3.ClH/c1-17-14-6-13(7-15(8-14)18-2)11-19-10-12-4-3-5-16-9-12;/h6-8,12,16H,3-5,9-11H2,1-2H3;1H
InChIKey
BFPNEUHWHWEYIS-UHFFFAOYSA-N
Canonic Smiles
COc1cc(COCC2CCCNC2)cc(c1)OC.Cl
Isomeric Smiles
N1CC(COCc2cc(cc(c2)OC)OC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.5496361
LogD (pH = 7.4)
-1.0346881
Log P
1.6795957
Molar Refractivity
75.4271
Polarizability
29.736763
Polar Surface Area
39.72
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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