Molecule

ID:53675

General Information
Structure
Molecular Formula
C₈H₃F₂NO₂
Molecular Mass
183.1117264
Exact Mass
183.01318478
Charge
0
InChI
InChI=1S/C8H3F2NO2/c9-8(10)12-6-2-1-5(4-11)3-7(6)13-8/h1-3H
InChIKey
VMJNTFXCTXAXTC-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc2c(c1)OC(O2)(F)F
Isomeric Smiles
O1C(Oc2c1ccc(c2)C#N)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.84532
LogD (pH = 7.4)
2.84532
Log P
2.84532
Molar Refractivity
35.6164
Polarizability
14.320132
Polar Surface Area
42.25
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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