Molecule

ID:54152

General Information
Structure
MolImage
Molecular Formula
C₇H₇FN₂O
Molecular Mass
154.1416832
Exact Mass
154.05424107
Charge
0
InChI
InChI=1S/C7H7FN2O/c8-6-3-1-5(2-4-6)7(9)10-11/h1-4,11H,(H2,9,10)
InChIKey
OSUPWUQRPLIJKX-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/c1ccc(cc1)F)\N
Isomeric Smiles
c1(ccc(cc1)F)/C(=N/O)/N
Calculated Properties
JChem
Acid pKa
9.091176
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.89776444
LogD (pH = 7.4)
1.0207274
Log P
1.0332345
Molar Refractivity
39.2966
Polarizability
14.42722
Polar Surface Area
58.61
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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