Molecule

ID:44216

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Cl₂NO₄
Molecular Mass
326.13156
Exact Mass
324.99086313
Charge
0
InChI
InChI=1S/C14H9Cl2NO4/c15-11-3-1-10(5-12(11)16)8-21-14-4-2-9(7-18)6-13(14)17(19)20/h1-7H,8H2
InChIKey
SVVIVJQFEIJBPS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)[N+](=O)[O-])OCc1ccc(c(c1)Cl)Cl
Isomeric Smiles
c1(c(ccc(c1)COc1ccc(cc1[N+](=O)[O-])C=O)Cl)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.4006233
LogD (pH = 7.4)
4.4006233
Log P
4.4006233
Molar Refractivity
80.6521
Polarizability
30.080484
Polar Surface Area
72.12
Rotatable Bonds
5
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