Molecule

ID:9114

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₂N
Molecular Mass
143.1339864
Exact Mass
143.05465567
Charge
0
InChI
InChI=1S/C7H7F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2
InChIKey
QDZZDVQGBKTLHV-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1F)F
Isomeric Smiles
NCc1c(F)cc(F)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.5084088
LogD (pH = 7.4)
-0.16481401
Log P
1.3844181
Molar Refractivity
34.9642
Polarizability
13.074524
Polar Surface Area
26.02
Rotatable Bonds
1
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