Molecule

ID:17468

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₂
Molecular Mass
231.29028
Exact Mass
231.12592879
Charge
0
InChI
InChI=1S/C14H17NO2/c1-10(2)7-15-8-11(9-16)13-6-12(17-3)4-5-14(13)15/h4-6,8-10H,7H2,1-3H3
InChIKey
WVJLRAZNAZXVET-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cc(OC)cc2)CC(C)C
Isomeric Smiles
c12c(n(cc1C=O)CC(C)C)ccc(c2)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.094818
LogD (pH = 7.4)
3.094818
Log P
3.094818
Molar Refractivity
68.8326
Polarizability
27.255203
Polar Surface Area
31.23
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
No Data Available
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Molecule Details
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References
Bioactivity
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