Molecule

ID:79202

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClNO₅
Molecular Mass
307.6859
Exact Mass
307.02475011
Charge
0
InChI
InChI=1S/C14H10ClNO5/c1-20-10-3-5-11(6-4-10)21-13-7-2-9(16(18)19)8-12(13)14(15)17/h2-8H,1H3
InChIKey
ZHLCCUQAQOFEBB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Oc1ccc(cc1C(=O)Cl)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(c(c1)C(=O)Cl)Oc1ccc(cc1)OC)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.4467585
LogD (pH = 7.4)
3.4467585
Log P
3.4467585
Molar Refractivity
77.2014
Polarizability
28.884169
Polar Surface Area
81.35
Rotatable Bonds
5
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