Molecule

ID:104807

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₄O₅
Molecular Mass
246.22056
Exact Mass
246.09641957
Charge
0
InChI
InChI=1S/C8H14N4O5/c9-1-5(13)10-2-6(14)11-3-7(15)12-4-8(16)17/h1-4,9H2,(H,10,13)(H,11,14)(H,12,15)(H,16,17)
InChIKey
QMOQBVOBWVNSNO-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)NCC(=O)NCC(=O)NCC(=O)O
Isomeric Smiles
NCC(=O)NCC(=O)NCC(=O)NCC(=O)O
Calculated Properties
JChem
Acid pKa
3.3373175
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-6.727764
LogD (pH = 7.4)
-6.8498483
Log P
-6.730107
Molar Refractivity
54.4139
Polarizability
21.433552
Polar Surface Area
150.62
Rotatable Bonds
7
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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