Molecule

ID:98617

General Information
Structure
MolImage
Molecular Formula
C₇H₅FN₂
Molecular Mass
136.1264032
Exact Mass
136.04367639
Charge
0
InChI
InChI=1S/C7H5FN2/c1-5-6(4-9)2-3-7(8)10-5/h2-3H,1H3
InChIKey
QHANDBDQIAZNHP-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(F)ccc1C#N
Isomeric Smiles
n1c(ccc(c1C)C#N)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2796724
LogD (pH = 7.4)
1.2796724
Log P
1.2796724
Molar Refractivity
35.4453
Polarizability
12.73005
Polar Surface Area
36.68
Rotatable Bonds
0
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