Molecule

ID:58873

General Information
Structure
Molecular Formula
C₆H₄FNO
Molecular Mass
125.1004632
Exact Mass
125.02769197
Charge
0
InChI
InChI=1S/C6H4FNO/c7-6-3-5(4-9)1-2-8-6/h1-4H
InChIKey
WOLIMEQXFWSBTE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccnc(c1)F
Isomeric Smiles
c1(cc(ccn1)C=O)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0047083
LogD (pH = 7.4)
1.0047083
Log P
1.0047083
Molar Refractivity
31.7162
Polarizability
11.068272
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