Molecule

ID:65756

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂N₃O₄
Molecular Mass
252.01172
Exact Mass
250.95006095
Charge
0
InChI
InChI=1S/C6H3Cl2N3O4/c1-15-5(12)2-3(11(13)14)4(7)10-6(8)9-2/h1H3
InChIKey
QOZVZJLPNJOHFA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nc(Cl)nc(c1[N+](=O)[O-])Cl
Isomeric Smiles
n1c(nc(c(c1Cl)[N+](=O)[O-])C(=O)OC)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.9118191
LogD (pH = 7.4)
1.9118191
Log P
1.9118191
Molar Refractivity
52.0608
Polarizability
19.312347
Polar Surface Area
95.22
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