Molecule

ID:44011

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClIN₂O₂
Molecular Mass
350.54019
Exact Mass
349.93190319
Charge
0
InChI
InChI=1S/C10H8ClIN2O2/c1-16-9(15)3-7-5-14-4-6(11)2-8(12)10(14)13-7/h2,4-5H,3H2,1H3
InChIKey
VDXULIXTCZBOQQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1cn2c(n1)c(I)cc(c2)Cl
Isomeric Smiles
n12c(nc(c1)CC(=O)OC)c(cc(c2)Cl)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2744927
LogD (pH = 7.4)
2.4590414
Log P
2.4620314
Molar Refractivity
69.8084
Polarizability
26.85766
Polar Surface Area
43.6
Rotatable Bonds
3
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