Molecule

ID:51507

General Information
Structure
MolImage
Molecular Formula
C₉H₄Cl₂N₂O₂
Molecular Mass
243.04626
Exact Mass
241.96498274
Charge
0
InChI
InChI=1S/C9H4Cl2N2O2/c10-7-3-8(13(14)15)9(11)6-4-12-2-1-5(6)7/h1-4H
InChIKey
NEWSYZKPVVHRRA-UHFFFAOYSA-N
Canonic Smiles
Clc1cc([N+](=O)[O-])c(c2c1ccnc2)Cl
Isomeric Smiles
c1([N+](=O)[O-])c(c2c(c(c1)Cl)ccnc2)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.892636
LogD (pH = 7.4)
2.8931174
Log P
2.8931236
Molar Refractivity
57.2856
Polarizability
22.645414
Polar Surface Area
58.71
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