Molecule

ID:38375

General Information
Structure
MolImage
Molecular Formula
C₇H₈F₃N₃
Molecular Mass
191.1537296
Exact Mass
191.06703193
Charge
0
InChI
InChI=1S/C7H8F3N3/c8-7(9,10)5-4-13-2-1-11-3-6(13)12-5/h4,11H,1-3H2
InChIKey
RHYZIHOBSWRZDL-UHFFFAOYSA-N
Canonic Smiles
FC(c1cn2c(n1)CNCC2)(F)F
Isomeric Smiles
c12CNCCn1cc(n2)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.59028214
LogD (pH = 7.4)
0.687444
Log P
0.802141
Molar Refractivity
40.1172
Polarizability
14.708671
Polar Surface Area
29.85
Rotatable Bonds
1
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