Molecule

ID:7383

General Information
Structure
MolImage
Molecular Formula
C₆H₅FN₂O₂
Molecular Mass
156.1145032
Exact Mass
156.03350563
Charge
0
InChI
InChI=1S/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
InChIKey
LLIOADBCFIXIEU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)[N+](=O)[O-])F
Isomeric Smiles
c1c(c(cc(c1)N)[N+](=O)[O-])F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2269701
LogD (pH = 7.4)
1.2270055
Log P
1.227006
Molar Refractivity
37.2953
Polarizability
13.163652
Polar Surface Area
69.16
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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