Molecule

ID:68086

General Information
Structure
MolImage
Molecular Formula
C₅H₄FNO
Molecular Mass
113.0897632
Exact Mass
113.02769197
Charge
0
InChI
InChI=1S/C5H4FNO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8)
InChIKey
XSRUCRGHYLPMHK-UHFFFAOYSA-N
Canonic Smiles
Fc1ccnc(c1)O
Isomeric Smiles
c1(cc(ccn1)F)O
Calculated Properties
JChem
Acid pKa
10.243667
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1890186
LogD (pH = 7.4)
1.1885517
Log P
1.1891675
Molar Refractivity
26.4119
Polarizability
9.793647
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