Molecule

ID:107707

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-2-3-4-5-9-15-12(14)11-7-6-8-13-10-11/h6-8,10H,2-5,9H2,1H3
InChIKey
RVYGVBZGSFLJKH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOC(=O)c1cccnc1
Isomeric Smiles
CCCCCCOC(=O)c1cccnc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9699383
LogD (pH = 7.4)
2.9720595
Log P
2.9720867
Molar Refractivity
59.002
Polarizability
23.056475
Polar Surface Area
39.19
Rotatable Bonds
7
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
References
Bioactivity
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