Molecule

ID:128166

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-8-4-11-12(15-7-14-11)6-10(8)5-9(2)13-3/h4,6,9,13H,5,7H2,1-3H3
InChIKey
CRQPDNIUPWXPNK-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2OCOc2cc1CC(NC)C
Isomeric Smiles
c1(cc2c(cc1CC(C)NC)OCO2)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8517011
LogD (pH = 7.4)
-0.25216818
Log P
2.3734858
Molar Refractivity
59.2879
Polarizability
23.367607
Polar Surface Area
30.49
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation