Molecule

ID:97463

General Information
Structure
Molecular Formula
C₈H₁₂FN
Molecular Mass
141.1859832
Exact Mass
141.09537761
Charge
0
InChI
InChI=1S/C8H11N.FH/c1-6-4-7(2)9-8(3)5-6;/h4-5H,1-3H3;1H
InChIKey
IDKGEEJHKVNSCI-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)nc(c1)C.F
Isomeric Smiles
n1c(cc(cc1C)C)C.F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.0325026
LogD (pH = 7.4)
1.2789286
Log P
1.5317351
Molar Refractivity
38.1253
Polarizability
14.741129
Polar Surface Area
12.89
Rotatable Bonds
0
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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