Molecule

ID:79199

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇ClN₄O₂
Molecular Mass
274.66258
Exact Mass
274.02575316
Charge
0
InChI
InChI=1S/C12H7ClN4O2/c13-11-4-5-12-14-10(7-16(12)15-11)8-2-1-3-9(6-8)17(18)19/h1-7H
InChIKey
GZWJARVERQGPGT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(n1)cc(n2)c1cccc(c1)[N+](=O)[O-]
Isomeric Smiles
n12c(nc(c1)c1cc(ccc1)[N+](=O)[O-])ccc(n2)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.4004493
LogD (pH = 7.4)
3.449588
Log P
3.4502544
Molar Refractivity
81.7286
Polarizability
27.162594
Polar Surface Area
76.01
Rotatable Bonds
2
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