Molecule

ID:65661

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClFIN₂O
Molecular Mass
324.4780932
Exact Mass
323.89626663
Charge
0
InChI
InChI=1S/C8H3ClFIN2O/c9-6-5-3(11)1-12-8(5)13-4(2-14)7(6)10/h1-2H,(H,12,13)
InChIKey
OMDLQPQCJCSMFO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1nc2[nH]cc(c2c(c1F)Cl)I
Isomeric Smiles
c1(c(nc2c(c1Cl)c(c[nH]2)I)C=O)F
Calculated Properties
JChem
Acid pKa
12.822389
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2845337
LogD (pH = 7.4)
3.2845323
Log P
3.284534
Molar Refractivity
59.5227
Polarizability
22.996342
Polar Surface Area
45.75
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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