Molecule

ID:96375

General Information
Structure
Molecular Formula
C₁₃H₇ClF₂N₂O₂
Molecular Mass
296.6566864
Exact Mass
296.01641159
Charge
0
InChI
InChI=1S/C13H7ClF2N2O2/c14-12-8(3-2-6-17-12)13(19)20-18-7-9-10(15)4-1-5-11(9)16/h1-7H
InChIKey
JNWLOUJCADJTEA-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1Cl)O/N=C/c1c(F)cccc1F
Isomeric Smiles
N(=C\c1c(cccc1F)F)/OC(=O)c1cccnc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.784248
LogD (pH = 7.4)
3.7842486
Log P
3.7842486
Molar Refractivity
70.4277
Polarizability
25.659279
Polar Surface Area
51.55
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
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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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