Molecule

ID:82002

General Information
Structure
Molecular Formula
C₁₃H₉ClN₂O₂
Molecular Mass
260.67576
Exact Mass
260.03525522
Charge
0
InChI
InChI=1S/C13H9ClN2O2/c1-8-2-4-10-12(6-8)16(18)13-7-9(14)3-5-11(13)15(10)17/h2-7H,1H3
InChIKey
AGTCFLWOSGBOAU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)[n+]([O-])c1c([n+]2[O-])ccc(c1)Cl
Isomeric Smiles
[n+]1(c2c([n+](c3ccc(cc13)Cl)[O-])ccc(c2)C)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.301959
LogD (pH = 7.4)
2.301959
Log P
2.301959
Molar Refractivity
71.2536
Polarizability
28.141884
Polar Surface Area
50.92
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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