Molecule

ID:118013

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O
Molecular Mass
244.3321
Exact Mass
244.15756327
Charge
0
InChI
InChI=1S/C15H20N2O/c1-11-8-14(9-16)12(2)17(11)10-13-6-4-5-7-15(13)18-3/h4-8H,9-10,16H2,1-3H3
InChIKey
UGPVZFFSCCKZOK-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(n(c1C)Cc1ccccc1OC)C
Isomeric Smiles
n1(c(c(cc1C)CN)C)Cc1c(OC)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.62786466
LogD (pH = 7.4)
0.23684686
Log P
2.368499
Molar Refractivity
75.5621
Polarizability
28.818834
Polar Surface Area
40.18
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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