Molecule

ID:31373

General Information
Structure
Molecular Formula
C₁₅H₂₃NO₂
Molecular Mass
249.34862
Exact Mass
249.17287898
Charge
0
InChI
InChI=1S/C15H23NO2/c1-17-14-6-5-13(11-15(14)18-2)4-3-12-7-9-16-10-8-12/h5-6,11-12,16H,3-4,7-10H2,1-2H3
InChIKey
RBAMJADJPNZZCE-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CCC2CCNCC2)ccc1OC
Isomeric Smiles
c1(c(ccc(c1)CCC1CCNCC1)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5794826
LogD (pH = 7.4)
-0.123157
Log P
2.6521056
Molar Refractivity
73.6074
Polarizability
28.98048
Polar Surface Area
30.49
Rotatable Bonds
5
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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