Molecule

ID:761

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂O₈
Molecular Mass
236.13632
Exact Mass
236.02806523
Charge
0
InChI
InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKey
MOYKHGMNXAOIAT-JGWLITMVSA-N
Canonic Smiles
[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-]
Isomeric Smiles
O1[C@H]2[C@H](OC[C@H]2O[N+](=O)[O-])[C@@H](O[N+](=O)[O-])C1
Calculated Properties
Provided by Enamine
CLogP
-3.50
H Donor
0
Polar Surface Area
123.20
Rotatable Bonds
4
JChem
Polar Surface Area
123.20
H Donor
0
H Acceptors
8
Rotatable Bonds
4
Lipinski's Rule of Five
true
Log P
-0.01
LogD (pH = 5.5)
-0.01
LogD (pH = 7.4)
-0.01
Molar Refractivity
42.76
Polarizability
17.58
LOG S
-2.66
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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