Molecule

ID:7998

General Information
Structure
MolImage
Molecular Formula
C₇H₈FN
Molecular Mass
125.1435232
Exact Mass
125.06407748
Charge
0
InChI
InChI=1S/C7H8FN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
InChIKey
QVSVMNXRLWSNGS-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)F
Isomeric Smiles
c1cc(cc(c1)CN)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.726924
LogD (pH = 7.4)
-0.6589178
Log P
1.2417161
Molar Refractivity
34.7478
Polarizability
13.340711
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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