Molecule

ID:7558

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₄NO
Molecular Mass
207.1250128
Exact Mass
207.03072667
Charge
0
InChI
InChI=1S/C8H5F4NO/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H2,13,14)
InChIKey
DDLPGTOHZZKQLP-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cc(ccc1F)C(F)(F)F
Isomeric Smiles
c1(ccc(c(c1)C(=O)N)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
12.413823
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8444365
LogD (pH = 7.4)
1.8444403
Log P
1.8444365
Molar Refractivity
41.3265
Polarizability
14.39761
Polar Surface Area
43.09
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