Molecule

ID:99980

General Information
Structure
MolImage
Molecular Formula
C₉H₄Cl₂FN₃O
Molecular Mass
260.0519632
Exact Mass
258.97154534
Charge
0
InChI
InChI=1S/C9H4Cl2FN3O/c10-7-13-8(11)15-9(14-7)16-6-3-1-2-5(12)4-6/h1-4H
InChIKey
POKWKMCRFXFTIO-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)Oc1nc(Cl)nc(n1)Cl
Isomeric Smiles
n1c(nc(nc1Cl)Cl)Oc1cccc(c1)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.994608
LogD (pH = 7.4)
3.994608
Log P
3.994608
Molar Refractivity
59.922
Polarizability
21.899164
Polar Surface Area
47.9
Rotatable Bonds
2
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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