Molecule

ID:69263

General Information
Structure
MolImage
Molecular Formula
C₇H₆FNO₂
Molecular Mass
155.1264432
Exact Mass
155.03825666
Charge
0
InChI
InChI=1S/C7H6FNO2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,1H3
InChIKey
JSXAJLMUBSEJFF-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(C)cccc1F
Isomeric Smiles
c1(c(c(ccc1)F)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5693533
LogD (pH = 7.4)
2.5693533
Log P
2.5693533
Molar Refractivity
37.6361
Polarizability
13.727663
Polar Surface Area
43.14
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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