Molecule

ID:99797

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClF₃N₅O
Molecular Mass
297.6647496
Exact Mass
297.06042234
Charge
0
InChI
InChI=1S/C9H10F3N5O.ClH/c10-9(11,12)18-6-3-1-5(2-4-6)16-8(15)17-7(13)14;/h1-4H,(H6,13,14,15,16,17);1H
InChIKey
VAWGZGSCMHDUCU-UHFFFAOYSA-N
Canonic Smiles
N=C(Nc1ccc(cc1)OC(F)(F)F)NC(=N)N.Cl
Isomeric Smiles
N(c1ccc(cc1)OC(F)(F)F)C(=N)NC(=N)N.Cl
Calculated Properties
JChem
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-2.355559
LogD (pH = 7.4)
-0.6205863
Log P
2.1571746
Molar Refractivity
75.9767
Polarizability
20.920788
Polar Surface Area
107.01
Rotatable Bonds
3
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
References
Bioactivity
Navigation