Molecule

ID:22373

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O
Molecular Mass
246.34798
Exact Mass
246.17321333
Charge
0
InChI
InChI=1S/C15H22N2O/c1-18-12-8-6-11(7-9-12)15-10-16-13-4-2-3-5-14(13)17-15/h6-9,13-17H,2-5,10H2,1H3
InChIKey
ULTNYLBOBQQJAL-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1CNC2C(N1)CCCC2
Isomeric Smiles
N1C(CNC2CCCCC12)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.9534916
LogD (pH = 7.4)
0.34442368
Log P
2.312231
Molar Refractivity
72.2782
Polarizability
29.187647
Polar Surface Area
33.29
Rotatable Bonds
2
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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