Molecule

ID:98178

General Information
Structure
MolImage
Molecular Formula
C₇H₆FNO
Molecular Mass
139.1270432
Exact Mass
139.04334204
Charge
0
InChI
InChI=1S/C7H6FNO/c1-5-2-6(4-10)3-9-7(5)8/h2-4H,1H3
InChIKey
UVVYTZWQLUZGIF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnc(c(c1)C)F
Isomeric Smiles
n1c(c(cc(c1)C=O)C)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5181297
LogD (pH = 7.4)
1.5181297
Log P
1.5181297
Molar Refractivity
36.7574
Polarizability
12.815456
Polar Surface Area
29.96
Rotatable Bonds
1
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