Molecule

ID:94468

General Information
Structure
MolImage
Molecular Formula
C₈H₈F₂N₂O
Molecular Mass
186.1587264
Exact Mass
186.06046933
Charge
0
InChI
InChI=1S/C8H8F2N2O/c9-6-1-5(2-7(10)4-6)3-8(13)12-11/h1-2,4H,3,11H2,(H,12,13)
InChIKey
IOHCJZUHAHBGJW-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)Cc1cc(F)cc(c1)F
Isomeric Smiles
Fc1cc(cc(c1)CC(=O)NN)F
Calculated Properties
JChem
Acid pKa
10.943894
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.7912017
LogD (pH = 7.4)
0.79284376
Log P
0.79297966
Molar Refractivity
44.1047
Polarizability
16.131004
Polar Surface Area
55.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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