Molecule

ID:97831

General Information
Structure
MolImage
Molecular Formula
C₈H₇F₂NO₂
Molecular Mass
187.1434864
Exact Mass
187.04448491
Charge
0
InChI
InChI=1S/C8H7F2NO2/c1-13-8(12)6-4(9)2-3-5(11)7(6)10/h2-3H,11H2,1H3
InChIKey
IUXHGFLADBGDTR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(F)ccc(c1F)N
Isomeric Smiles
O(C(=O)c1c(c(ccc1F)N)F)C
Calculated Properties
JChem
Acid pKa
18.229946
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4331884
LogD (pH = 7.4)
1.4332006
Log P
1.4332007
Molar Refractivity
43.2165
Polarizability
15.460563
Polar Surface Area
52.32
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