Molecule

ID:103025

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉N₅O₅
Molecular Mass
289.28836
Exact Mass
289.13861873
Charge
0
InChI
InChI=1S/C10H19N5O5/c11-5(2-1-3-14-10(12)13)8(18)15-6(9(19)20)4-7(16)17/h5-6H,1-4,11H2,(H,15,18)(H,16,17)(H,19,20)(H4,12,13,14)
InChIKey
SIFXMYAHXJGAFC-UHFFFAOYSA-N
Canonic Smiles
NC(=N)NCCCC(C(=O)NC(C(=O)O)CC(=O)O)N
Isomeric Smiles
NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3134024
H Acceptors
9
H Donor
7
LogD (pH = 5.5)
-6.624186
LogD (pH = 7.4)
-6.5707293
Log P
-6.5275283
Molar Refractivity
77.2559
Polarizability
26.178493
Polar Surface Area
191.62
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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