Molecule

ID:98189

General Information
Structure
MolImage
Molecular Formula
C₆H₆FNO
Molecular Mass
127.1163432
Exact Mass
127.04334204
Charge
0
InChI
InChI=1S/C6H6FNO/c1-4-2-5(9)3-8-6(4)7/h2-3,9H,1H3
InChIKey
ATRGNDHQLNNCNW-UHFFFAOYSA-N
Canonic Smiles
Oc1cnc(c(c1)C)F
Isomeric Smiles
n1cc(cc(c1F)C)O
Calculated Properties
JChem
Acid pKa
8.64964
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5017594
LogD (pH = 7.4)
1.4787138
Log P
1.5020621
Molar Refractivity
32.1543
Polarizability
11.536756
Polar Surface Area
33.12
Rotatable Bonds
0
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
暂无数据
点击上传数据
References
Bioactivity
Navigation