Molecule

ID:126951

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₄O₇
Molecular Mass
278.21936
Exact Mass
278.08624881
Charge
0
InChI
InChI=1S/C8H14N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)11(5)3-15/h5,13-16H,1-4H2,(H,9,18)
InChIKey
SOROIESOUPGGFO-UHFFFAOYSA-N
Canonic Smiles
OCNC(=O)N(C1C(=O)N(C(=O)N1CO)CO)CO
Isomeric Smiles
O=C1N(C(=O)C(N(C(=O)NCO)CO)N1CO)CO
Calculated Properties
JChem
Acid pKa
12.575115
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
-3.785841
LogD (pH = 7.4)
-3.7858436
Log P
-3.785841
Molar Refractivity
56.0165
Polarizability
22.532265
Polar Surface Area
153.88
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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