Molecule

ID:14083

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀ClNO₃
Molecular Mass
297.7772
Exact Mass
297.11317119
Charge
0
InChI
InChI=1S/C15H19NO3.ClH/c1-17-14-6-5-12(10-15(14)18-2)7-8-16-11-13-4-3-9-19-13;/h3-6,9-10,16H,7-8,11H2,1-2H3;1H
InChIKey
MNQSPKHGJGCYAQ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CCNCc2ccco2)ccc1OC.Cl
Isomeric Smiles
c1(cc(c(cc1)OC)OC)CCNCc1occc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5571233
LogD (pH = 7.4)
1.09509
Log P
2.289633
Molar Refractivity
73.9909
Polarizability
28.791374
Polar Surface Area
43.63
Rotatable Bonds
7
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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