Molecule

ID:7946

General Information
Structure
MolImage
Molecular Formula
C₇H₇FN₂O
Molecular Mass
154.1416832
Exact Mass
154.05424107
Charge
0
InChI
InChI=1S/C7H7FN2O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChIKey
YJCCKQQVXNNAAR-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccccc1F
Isomeric Smiles
c1cccc(c1C(=O)NN)F
Calculated Properties
JChem
Acid pKa
12.698015
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.6694229
LogD (pH = 7.4)
0.6701017
Log P
0.6701124
Molar Refractivity
39.8369
Polarizability
14.313142
Polar Surface Area
55.12
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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