Molecule

ID:65488

General Information
Structure
Molecular Formula
C₇H₇F₂N
Molecular Mass
143.1339864
Exact Mass
143.05465567
Charge
0
InChI
InChI=1S/C7H7F2N/c1-7(8,9)6-3-2-4-10-5-6/h2-5H,1H3
InChIKey
WFCYXXQJORJHPH-UHFFFAOYSA-N
Canonic Smiles
CC(c1cccnc1)(F)F
Isomeric Smiles
c1c(cccn1)C(C)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.363111
LogD (pH = 7.4)
1.3923353
Log P
1.3927242
Molar Refractivity
34.0069
Polarizability
12.593868
Polar Surface Area
12.89
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
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References
Bioactivity
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