Molecule

ID:104181

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₈O₈
Molecular Mass
388.29354
Exact Mass
388.10910951
Charge
0
InChI
InChI=1S/C11H16N8O8/c20-2-18-4(6(22)16-10(18)26)14-8(24)12-1-13-9(25)15-5-7(23)17-11(27)19(5)3-21/h4-5,20-21H,1-3H2,(H2,12,14,24)(H2,13,15,25)(H,16,22,26)(H,17,23,27)
InChIKey
ZCTXEAQXZGPWFG-UHFFFAOYSA-N
Canonic Smiles
OCN1C(=O)NC(=O)C1NC(=O)NCNC(=O)NC1C(=O)NC(=O)N1CO
Isomeric Smiles
OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.31
LogD (pH = 5.5)
-5.05
Log P
-5.05
Rotatable Bonds
6
H Donor
8
H Acceptors
8
Lipinski's Rule of Five
false
Acid pKa
7.55
Polar Surface Area
221.54
Polarizability
33.55
Molar Refractivity
78.68
LOG S
-1.80
Data Source
Names and Identifiers
Registration numbers
Properties
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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