Molecule

ID:70207

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₅O₅
Molecular Mass
285.2566
Exact Mass
285.10731861
Charge
0
InChI
InChI=1S/C10H13N5O4.H2O/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6;/h3-6,16-17H,1-2H2,(H3,11,13,14,18);1H2/t4-,5+,6+;/m0./s1
InChIKey
LZSCQUCOIRGCEJ-FPKZOZHISA-N
Canonic Smiles
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(N)[nH]c2=O.O
Isomeric Smiles
OC[C@@H]1[C@@H](O)C[C@@H](O1)n1cnc2c(=O)[nH]c(N)nc12.O
Calculated Properties
JChem
Acid pKa
10.158529
H Acceptors
7
H Donor
4
LogD (pH = 5.5)
-1.8056743
LogD (pH = 7.4)
-1.8062477
Log P
-1.8055801
Molar Refractivity
63.1104
Polarizability
23.620188
Polar Surface Area
134.99
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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