Molecule

ID:69789

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀FN
Molecular Mass
139.1701032
Exact Mass
139.07972755
Charge
0
InChI
InChI=1S/C8H10FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKey
CKLFJWXRWIQYOC-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(cc1)F
Isomeric Smiles
NCCc1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.4797142
LogD (pH = 7.4)
-0.7778103
Log P
1.5303774
Molar Refractivity
39.5028
Polarizability
15.106853
Polar Surface Area
26.02
Rotatable Bonds
2
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