Molecule

ID:61495

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃F₃N₄
Molecular Mass
282.2643296
Exact Mass
282.1092311
Charge
0
InChI
InChI=1S/C13H13F3N4/c14-13(15,16)11-2-1-9-10(19-11)3-4-18-12(9)20-7-5-17-6-8-20/h1-4,17H,5-8H2
InChIKey
MIBMFJKAPFQBRL-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc2c(n1)ccnc2N1CCNCC1)(F)F
Isomeric Smiles
c1(ccc2c(n1)ccnc2N1CCNCC1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.6116269
LogD (pH = 7.4)
0.97403353
Log P
2.3435
Molar Refractivity
68.9216
Polarizability
26.358278
Polar Surface Area
41.05
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