Molecule

ID:13428

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₂
Molecular Mass
245.31686
Exact Mass
245.14157885
Charge
0
InChI
InChI=1S/C15H19NO2/c1-2-4-12(5-3-1)9-16-10-13-6-7-14-15(8-13)18-11-17-14/h1-2,6-8,12,16H,3-5,9-11H2
InChIKey
NXTXEOBNACNUAG-UHFFFAOYSA-N
Canonic Smiles
C1=CCC(CC1)CNCc1ccc2c(c1)OCO2
Isomeric Smiles
c1(cc2c(cc1)OCO2)CNCC1CCC=CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.30426955
LogD (pH = 7.4)
0.49590588
Log P
2.9071896
Molar Refractivity
71.9345
Polarizability
28.080256
Polar Surface Area
30.49
Rotatable Bonds
4
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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