Molecule

ID:75483

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂BrNO₄
Molecular Mass
302.12128
Exact Mass
300.99496987
Charge
0
InChI
InChI=1S/C11H12BrNO4/c1-11(2,3)17-10(14)8-5-4-7(12)6-9(8)13(15)16/h4-6H,1-3H3
InChIKey
WFQHGCOHRFRRHU-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)[N+](=O)[O-])C(=O)OC(C)(C)C
Isomeric Smiles
O=C(c1c(cc(cc1)Br)[N+](=O)[O-])OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7394192
LogD (pH = 7.4)
3.7394192
Log P
3.7394192
Molar Refractivity
65.8322
Polarizability
25.124905
Polar Surface Area
69.44
Rotatable Bonds
4
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