Molecule

ID:51646

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇FN₂O
Molecular Mass
236.2852832
Exact Mass
236.13249139
Charge
0
InChI
InChI=1S/C13H17FN2O/c1-13(2,3)12(17)16-6-4-5-9-7-10(14)8-15-11(9)16/h7-8H,4-6H2,1-3H3
InChIKey
IUBSHJRDDRRQFV-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc2c(c1)CCCN2C(=O)C(C)(C)C
Isomeric Smiles
c1(cnc2c(c1)CCCN2C(=O)C(C)(C)C)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8785021
LogD (pH = 7.4)
2.8785028
Log P
2.8785028
Molar Refractivity
64.0229
Polarizability
24.307934
Polar Surface Area
33.2
Rotatable Bonds
1
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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