Molecule

ID:99240

General Information
Structure
MolImage
Molecular Formula
C₈H₉FN₂O
Molecular Mass
168.1682632
Exact Mass
168.06989114
Charge
0
InChI
InChI=1S/C8H9FN2O/c1-11(10)8(12)6-2-4-7(9)5-3-6/h2-5H,10H2,1H3
InChIKey
RINJRPOTTYANET-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)c1ccc(cc1)F)N
Isomeric Smiles
N(C(=O)c1ccc(cc1)F)(N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8913516
LogD (pH = 7.4)
0.89375764
Log P
0.8937884
Molar Refractivity
44.7336
Polarizability
16.133856
Polar Surface Area
46.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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