Molecule

ID:13230

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂N₂O
Molecular Mass
270.36938
Exact Mass
270.17321333
Charge
0
InChI
InChI=1S/C17H22N2O/c1-19(2)16-8-4-14(5-9-16)12-18-13-15-6-10-17(20-3)11-7-15/h4-11,18H,12-13H2,1-3H3
InChIKey
UMWLNIWSXCFEEZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNCc1ccc(cc1)N(C)C
Isomeric Smiles
c1c(ccc(c1)CNCc1ccc(cc1)N(C)C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.0718964
LogD (pH = 7.4)
1.4783511
Log P
3.2064404
Molar Refractivity
84.8104
Polarizability
32.507305
Polar Surface Area
24.5
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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