Molecule

ID:7498

General Information
Structure
MolImage
Molecular Formula
C₆H₅FIN
Molecular Mass
237.0134732
Exact Mass
236.94507539
Charge
0
InChI
InChI=1S/C6H5FIN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
InChIKey
CUMTUBVTKOYYOU-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(c(c1)F)N
Isomeric Smiles
c1c(N)c(cc(c1)I)F
Calculated Properties
JChem
Acid pKa
19.005121
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2158453
LogD (pH = 7.4)
2.2159648
Log P
2.2159662
Molar Refractivity
44.3373
Polarizability
16.50565
Polar Surface Area
26.02
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