Molecule

ID:32279

General Information
Structure
Molecular Formula
C₁₁H₁₇BrN₂O₅
Molecular Mass
337.16708
Exact Mass
336.03208365
Charge
0
InChI
InChI=1S/C11H17BrN2O5/c1-18-4-5-19-10(16)6-8-11(17)13-2-3-14(8)9(15)7-12/h8H,2-7H2,1H3,(H,13,17)
InChIKey
ODVQCAKHDOPJAN-UHFFFAOYSA-N
Canonic Smiles
COCCOC(=O)CC1N(CCNC1=O)C(=O)CBr
Isomeric Smiles
N1(C(C(=O)NCC1)CC(=O)OCCOC)C(=O)CBr
Calculated Properties
JChem
Acid pKa
13.200424
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.1110344
LogD (pH = 7.4)
-1.111035
Log P
-1.1110344
Molar Refractivity
69.1724
Polarizability
27.237225
Polar Surface Area
84.94
Rotatable Bonds
7
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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