Molecule

ID:126423

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃O₅
Molecular Mass
271.26978
Exact Mass
271.11682066
Charge
0
InChI
InChI=1S/C11H17N3O5/c1-2-3-4-11(5-6-19-9(12)17)7(15)13-10(18)14-8(11)16/h2-6H2,1H3,(H2,12,17)(H2,13,14,15,16,18)
InChIKey
ZWGPHQZXAPWKOV-UHFFFAOYSA-N
Canonic Smiles
CCCCC1(CCOC(=O)N)C(=O)NC(=O)NC1=O
Isomeric Smiles
CCCCC1(C(=O)NC(=O)NC1=O)CCOC(=O)N
Calculated Properties
JChem
Acid pKa
8.183793
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.27624512
LogD (pH = 7.4)
0.21179995
Log P
0.2771334
Molar Refractivity
63.2112
Polarizability
24.870169
Polar Surface Area
127.59
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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