Molecule

ID:96381

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈ClFN₂O₂
Molecular Mass
278.6662232
Exact Mass
278.02583341
Charge
0
InChI
InChI=1S/C13H8ClFN2O2/c14-12-11(5-2-6-16-12)13(18)19-17-8-9-3-1-4-10(15)7-9/h1-8H
InChIKey
RZXPHQNFJQOEKR-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)/C=N/OC(=O)c1cccnc1Cl
Isomeric Smiles
N(=C\c1cc(ccc1)F)/OC(=O)c1c(nccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.641543
LogD (pH = 7.4)
3.6415467
Log P
3.6415467
Molar Refractivity
70.2113
Polarizability
25.864475
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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