Molecule

ID:29141

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₂
Molecular Mass
245.31686
Exact Mass
245.14157885
Charge
0
InChI
InChI=1S/C15H19NO2/c1-12-5-7-14(8-6-12)18-13(2)10-16-11-15-4-3-9-17-15/h3-9,13,16H,10-11H2,1-2H3
InChIKey
INLASZPDVMEHTD-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)C)CNCc1ccco1
Isomeric Smiles
c1(occc1)CNCC(Oc1ccc(cc1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.59732246
LogD (pH = 7.4)
2.3284454
Log P
3.1658874
Molar Refractivity
71.7091
Polarizability
28.121449
Polar Surface Area
34.4
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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