Molecule

ID:95781

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₂FN₃O₂
Molecular Mass
316.1152232
Exact Mass
314.99776009
Charge
0
InChI
InChI=1S/C12H8Cl2FN3O2/c1-18-11(14)8(5-16-18)12(19)20-17-6-7-9(13)3-2-4-10(7)15/h2-6H,1H3
InChIKey
XYOIQVFIIOULAH-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cnn(c1Cl)C)O/N=C/c1c(F)cccc1Cl
Isomeric Smiles
n1cc(c(n1C)Cl)C(=O)O/N=C/c1c(cccc1Cl)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.3859537
LogD (pH = 7.4)
3.3859572
Log P
3.3859572
Molar Refractivity
85.0162
Polarizability
27.353619
Polar Surface Area
56.48
Rotatable Bonds
4
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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