Molecule

ID:93865

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇FN₄
Molecular Mass
202.1877832
Exact Mass
202.06547446
Charge
0
InChI
InChI=1S/C10H7FN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
InChIKey
SZEJYPAPBGNEMH-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnn(c1N)c1ccc(cc1)F
Isomeric Smiles
n1(c2ccc(cc2)F)c(c(cn1)C#N)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.318081
LogD (pH = 7.4)
1.3182256
Log P
1.3182275
Molar Refractivity
54.3114
Polarizability
20.046946
Polar Surface Area
67.63
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