Molecule

ID:41523

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅BrN₂O₂
Molecular Mass
323.1851
Exact Mass
322.03168973
Charge
0
InChI
InChI=1S/C14H15BrN2O2/c1-4-19-14(18)13-9(2)16-17(10(13)3)12-8-6-5-7-11(12)15/h5-8H,4H2,1-3H3
InChIKey
TVYMLUPWSRLVRO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(C)nn(c1C)c1ccccc1Br
Isomeric Smiles
n1(nc(c(c1C)C(=O)OCC)C)c1c(Br)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5189033
LogD (pH = 7.4)
3.5190318
Log P
3.5190334
Molar Refractivity
78.5576
Polarizability
29.971777
Polar Surface Area
44.12
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