Molecule

ID:125925

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₄O₆
Molecular Mass
290.27312
Exact Mass
290.12263432
Charge
0
InChI
InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1
InChIKey
KDZOASGQNOPSCU-WDSKDSINSA-N
Canonic Smiles
N/C(=N\CCC[C@@H](C(=O)O)N)/N[C@H](C(=O)O)CC(=O)O
Isomeric Smiles
O=C(O)C[C@@H](C(=O)O)N/C(=N/CCC[C@H](N)C(=O)O)/N
Calculated Properties
JChem
Acid pKa
2.1357622
H Acceptors
10
H Donor
6
LogD (pH = 5.5)
-6.3052197
LogD (pH = 7.4)
-8.042149
Log P
-5.8519173
Molar Refractivity
65.0188
Polarizability
25.549032
Polar Surface Area
188.33
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation