Molecule

ID:29052

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃NO₂
Molecular Mass
249.34862
Exact Mass
249.17287898
Charge
0
InChI
InChI=1S/C15H23NO2/c1-2-13-5-7-14(8-6-13)18-11-9-16-12-15-4-3-10-17-15/h5-8,15-16H,2-4,9-12H2,1H3
InChIKey
APQOPUMKMWQXNP-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)OCCNCC1CCCO1
Isomeric Smiles
O1C(CNCCOc2ccc(cc2)CC)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.26145768
LogD (pH = 7.4)
1.1156094
Log P
2.8277502
Molar Refractivity
73.1425
Polarizability
28.995554
Polar Surface Area
30.49
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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