Molecule

ID:43778

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₃N₂
Molecular Mass
176.1390896
Exact Mass
176.05613289
Charge
0
InChI
InChI=1S/C7H7F3N2/c1-11-6-3-2-5(4-12-6)7(8,9)10/h2-4H,1H3,(H,11,12)
InChIKey
ALRNMRIFTCZDDH-UHFFFAOYSA-N
Canonic Smiles
CNc1ccc(cn1)C(F)(F)F
Isomeric Smiles
c1c(cnc(c1)NC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4152792
LogD (pH = 7.4)
1.6954479
Log P
1.7006575
Molar Refractivity
40.3821
Polarizability
13.669859
Polar Surface Area
24.92
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