Molecule

ID:53893

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂BrNO₂
Molecular Mass
306.15458
Exact Mass
305.00514063
Charge
0
InChI
InChI=1S/C14H12BrNO2/c1-2-18-14(17)12-11(8-9-16-13(12)15)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKey
BDRRHIOEEONVPQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(Br)nccc1c1ccccc1
Isomeric Smiles
c1(c(nccc1c1ccccc1)Br)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7373562
LogD (pH = 7.4)
3.7373583
Log P
3.7373583
Molar Refractivity
74.2762
Polarizability
29.396032
Polar Surface Area
39.19
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