Molecule

ID:95337

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClF₂N₃O₂
Molecular Mass
273.6233464
Exact Mass
273.01166057
Charge
0
InChI
InChI=1S/C10H6ClF2N3O2/c1-17-9-14-8(11)15-10(16-9)18-7-3-2-5(12)4-6(7)13/h2-4H,1H3
InChIKey
QQPBVLCDMHRNHH-UHFFFAOYSA-N
Canonic Smiles
COc1nc(nc(n1)Cl)Oc1ccc(cc1F)F
Isomeric Smiles
n1c(nc(nc1Oc1ccc(cc1F)F)OC)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.749874
LogD (pH = 7.4)
3.749874
Log P
3.749874
Molar Refractivity
61.049
Polarizability
22.20948
Polar Surface Area
57.13
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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
Bioactivity
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