Molecule

ID:123672

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆BrN₃O₃
Molecular Mass
318.16704
Exact Mass
317.03750339
Charge
0
InChI
InChI=1S/C11H16BrN3O3/c1-13-8(7-15-3-5-18-6-4-15)9(12)10(16)14(2)11(13)17/h3-7H2,1-2H3
InChIKey
KEAAOUVFSUTINT-UHFFFAOYSA-N
Canonic Smiles
O=c1n(C)c(CN2CCOCC2)c(c(=O)n1C)Br
Isomeric Smiles
n1(c(=O)n(c(c(c1=O)Br)CN1CCOCC1)C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.0027177616
LogD (pH = 7.4)
0.062071744
Log P
0.06296355
Molar Refractivity
71.5361
Polarizability
26.860603
Polar Surface Area
53.09
Rotatable Bonds
2
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