Molecule

ID:24238

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₃NO
Molecular Mass
177.1238496
Exact Mass
177.04014848
Charge
0
InChI
InChI=1S/C7H6F3NO/c1-12-5-2-3-6(11-4-5)7(8,9)10/h2-4H,1H3
InChIKey
MRHJZBSCOLVMGA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(nc1)C(F)(F)F
Isomeric Smiles
c1(cnc(cc1)C(F)(F)F)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8615854
LogD (pH = 7.4)
1.8616008
Log P
1.8616009
Molar Refractivity
35.966
Polarizability
13.279056
Polar Surface Area
22.12
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