Molecule

ID:51677

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClFIN₂
Molecular Mass
296.4679932
Exact Mass
295.90135201
Charge
0
InChI
InChI=1S/C7H3ClFIN2/c8-4-3-1-2-11-7(3)12-6(10)5(4)9/h1-2H,(H,11,12)
InChIKey
RJMPUPGWZJBCAY-UHFFFAOYSA-N
Canonic Smiles
Ic1nc2[nH]ccc2c(c1F)Cl
Isomeric Smiles
c1(c(nc2c(c1Cl)cc[nH]2)I)F
Calculated Properties
JChem
Acid pKa
14.143665
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9300761
LogD (pH = 7.4)
2.9300761
Log P
2.9300761
Molar Refractivity
53.032
Polarizability
21.08918
Polar Surface Area
28.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation