Molecule

ID:118036

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₂
Molecular Mass
260.3315
Exact Mass
260.15247789
Charge
0
InChI
InChI=1S/C15H20N2O2/c1-10-7-12(9-16)11(2)17(10)14-6-5-13(18-3)8-15(14)19-4/h5-8H,9,16H2,1-4H3
InChIKey
CRUHYPXQAWUQTI-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)OC)n1c(C)cc(c1C)CN
Isomeric Smiles
n1(c(cc(c1C)CN)C)c1c(cc(cc1)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.146671
LogD (pH = 7.4)
-0.93059856
Log P
1.2026
Molar Refractivity
87.5096
Polarizability
30.24834
Polar Surface Area
49.41
Rotatable Bonds
3
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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