Molecule

ID:85891

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BrNO₄
Molecular Mass
288.0947
Exact Mass
286.97931981
Charge
0
InChI
InChI=1S/C10H10BrNO4/c11-7-10(15-5-6-16-10)8-1-3-9(4-2-8)12(13)14/h1-4H,5-7H2
InChIKey
NRDICUGTQILBLB-UHFFFAOYSA-N
Canonic Smiles
BrCC1(OCCO1)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(cc1)C1(OCCO1)CBr)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.9806764
LogD (pH = 7.4)
2.9806764
Log P
2.9806764
Molar Refractivity
61.1963
Polarizability
23.154274
Polar Surface Area
64.28
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