Molecule

ID:6680

General Information
Structure
MolImage
Molecular Formula
C₈H₈F₃NO
Molecular Mass
191.1504296
Exact Mass
191.05579854
Charge
0
InChI
InChI=1S/C8H8F3NO/c1-13-7-3-2-5(12)4-6(7)8(9,10)11/h2-4H,12H2,1H3
InChIKey
CQJCPOVTPNWVBW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C(F)(F)F)N
Isomeric Smiles
c1c(c(cc(c1)N)C(F)(F)F)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8506168
LogD (pH = 7.4)
1.8643196
Log P
1.8644971
Molar Refractivity
43.1953
Polarizability
15.223783
Polar Surface Area
35.25
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