Molecule

ID:9117

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₂N
Molecular Mass
143.1339864
Exact Mass
143.05465567
Charge
0
InChI
InChI=1S/C7H7F2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2
InChIKey
GDFBHCMFIUBEQT-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(F)ccc1F
Isomeric Smiles
NCc1c(F)ccc(c1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.4772531
LogD (pH = 7.4)
-0.0673065
Log P
1.3844181
Molar Refractivity
34.9642
Polarizability
13.074896
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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