Molecule

ID:71977

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClFN₃
Molecular Mass
223.6340832
Exact Mass
223.03125314
Charge
0
InChI
InChI=1S/C10H7ClFN3/c11-10-13-6-8(12)9(15-10)14-7-4-2-1-3-5-7/h1-6H,(H,13,14,15)
InChIKey
GMENDZXFDSRILX-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(n1)Nc1ccccc1)F
Isomeric Smiles
c1nc(nc(c1F)Nc1ccccc1)Cl
Calculated Properties
JChem
Acid pKa
13.42317
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.135369
LogD (pH = 7.4)
3.1353707
Log P
3.135371
Molar Refractivity
57.237
Polarizability
20.984446
Polar Surface Area
37.81
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