Molecule

ID:13545

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₂
Molecular Mass
245.31686
Exact Mass
245.14157885
Charge
0
InChI
InChI=1S/C15H19NO2/c1-11-4-7-15(18-11)10-16-12(2)13-5-8-14(17-3)9-6-13/h4-9,12,16H,10H2,1-3H3
InChIKey
OEFKVDKXGYPFEL-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(NCc1ccc(o1)C)C
Isomeric Smiles
c1c(ccc(c1)C(NCc1ccc(o1)C)C)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.42242384
LogD (pH = 7.4)
2.1483552
Log P
2.7747796
Molar Refractivity
72.3412
Polarizability
28.118177
Polar Surface Area
34.4
Rotatable Bonds
5
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
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References
Bioactivity
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