Molecule

ID:79391

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉ClN₂O₃
Molecular Mass
264.66446
Exact Mass
264.03016984
Charge
0
InChI
InChI=1S/C12H9ClN2O3/c1-8-7-9(13)4-5-11(8)18-12-10(15(16)17)3-2-6-14-12/h2-7H,1H3
InChIKey
PVKUXWMLOZIQDP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C)Oc1ncccc1[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cccnc1Oc1ccc(cc1C)Cl)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9077682
LogD (pH = 7.4)
3.9077682
Log P
3.9077682
Molar Refractivity
67.6261
Polarizability
25.315783
Polar Surface Area
67.94
Rotatable Bonds
3
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