Molecule

ID:32257

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇BrN₂O₄
Molecular Mass
321.16768
Exact Mass
320.03716903
Charge
0
InChI
InChI=1S/C11H17BrN2O4/c1-2-5-18-10(16)6-8-11(17)13-3-4-14(8)9(15)7-12/h8H,2-7H2,1H3,(H,13,17)
InChIKey
DYOYSHAEZJUKBT-UHFFFAOYSA-N
Canonic Smiles
CCCOC(=O)CC1C(=O)NCCN1C(=O)CBr
Isomeric Smiles
N1(C(C(=O)NCC1)CC(=O)OCCC)C(=O)CBr
Calculated Properties
JChem
Acid pKa
13.280976
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.18472858
LogD (pH = 7.4)
-0.18472907
Log P
-0.18472856
Molar Refractivity
67.4015
Polarizability
26.452925
Polar Surface Area
75.71
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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