Molecule

ID:33217

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClN₃O₂
Molecular Mass
289.71698
Exact Mass
289.06180432
Charge
0
InChI
InChI=1S/C14H12ClN3O2/c15-12-7-2-1-6-11(12)14(20)17-10-5-3-4-9(8-10)13(19)18-16/h1-8H,16H2,(H,17,20)(H,18,19)
InChIKey
YPZUEZIWOGKFLM-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cccc(c1)NC(=O)c1ccccc1Cl
Isomeric Smiles
C(=O)(c1c(Cl)cccc1)Nc1cc(C(=O)NN)ccc1
Calculated Properties
JChem
Acid pKa
10.4149275
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
2.2224765
LogD (pH = 7.4)
2.2229307
Log P
2.2233398
Molar Refractivity
79.9588
Polarizability
29.101116
Polar Surface Area
84.22
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