Molecule

ID:94347

General Information
Structure
MolImage
Molecular Formula
C₇H₈BFN₂O₃
Molecular Mass
197.9594232
Exact Mass
198.06120075
Charge
0
InChI
InChI=1S/C7H8BFN2O3/c9-6-3-4(8(13)14)1-2-5(6)7(12)11-10/h1-3,13-14H,10H2,(H,11,12)
InChIKey
HKIPNGLGNVCWCT-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(cc1F)B(O)O
Isomeric Smiles
B(c1cc(c(cc1)C(=O)NN)F)(O)O
Calculated Properties
JChem
Acid pKa
8.452373
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
0.4164929
LogD (pH = 7.4)
0.38089836
Log P
0.4176
Molar Refractivity
44.3824
Polarizability
17.596619
Polar Surface Area
95.58
Rotatable Bonds
2
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