Molecule

ID:7511

General Information
Structure
MolImage
Molecular Formula
C₇H₈FN
Molecular Mass
125.1435232
Exact Mass
125.06407748
Charge
0
InChI
InChI=1S/C7H8FN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
InChIKey
MGRHBBRSAFPBIN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)C
Isomeric Smiles
c1c(c(cc(c1)N)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7920455
LogD (pH = 7.4)
1.8003365
Log P
1.8004432
Molar Refractivity
36.016
Polarizability
12.891624
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...