Molecule

ID:97067

General Information
Structure
MolImage
Molecular Formula
C₉H₈CrFNO₃
Molecular Mass
249.1592232
Exact Mass
248.98932884
Charge
0
InChI
InChI=1S/C9H7N.Cr.FH.3O/c1-2-6-9-8(4-1)5-3-7-10-9;;;;;/h1-7H;;1H;;;
InChIKey
INHBYXFXXCWWOW-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)[nH+]ccc2.F[Cr-](=O)(=O)=O
Isomeric Smiles
[Cr-](=O)(=O)(=O)F.[nH+]1cccc2c1cccc2
Calculated Properties
JChem
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.0912383
LogD (pH = 7.4)
2.1303756
Log P
2.1309004
Molar Refractivity
41.4875
Polarizability
17.324144
Polar Surface Area
14.14
Rotatable Bonds
0
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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