Molecule

ID:60784

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈Cl₂N₂O₂
Molecular Mass
307.13152
Exact Mass
305.99628287
Charge
0
InChI
InChI=1S/C14H8Cl2N2O2/c15-10-6-5-8(7-11(10)16)18-13(19)9-3-1-2-4-12(9)17-14(18)20/h1-7H,(H,17,20)
InChIKey
YZAGMQVSLPFPGC-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(ccc1Cl)n1c(=O)[nH]c2c(c1=O)cccc2
Isomeric Smiles
n1(c(=O)[nH]c2c(c1=O)cccc2)c1cc(c(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
10.404629
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8366663
LogD (pH = 7.4)
3.8362634
Log P
3.8366714
Molar Refractivity
78.06
Polarizability
29.076067
Polar Surface Area
49.41
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