Molecule

ID:35932

General Information
Structure
MolImage
Molecular Formula
C₈H₆FNO
Molecular Mass
151.1377432
Exact Mass
151.04334204
Charge
0
InChI
InChI=1S/C8H6FNO/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H2
InChIKey
PHRJTGPFEAUEBC-UHFFFAOYSA-N
Canonic Smiles
O=C=NCc1cccc(c1)F
Isomeric Smiles
C(=NCc1cc(F)ccc1)=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8245555
LogD (pH = 7.4)
1.8245555
Log P
1.8245555
Molar Refractivity
38.1672
Polarizability
14.205935
Polar Surface Area
29.43
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