Molecule

ID:102205

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅N₃O₇
Molecular Mass
265.2206
Exact Mass
265.09099984
Charge
0
InChI
InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7-/m1/s1
InChIKey
ZSJLQEPLLKMAKR-NYMZXIIRSA-N
Canonic Smiles
OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)/N=C(/N(N=O)C)\O
Isomeric Smiles
CN(/C(=N/[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1O)O)O)/O)N=O
Calculated Properties
JChem
Acid pKa
7.5637026
H Acceptors
9
H Donor
5
LogD (pH = 5.5)
-1.9044147
LogD (pH = 7.4)
-2.1274488
Log P
-1.9006814
Molar Refractivity
56.4769
Polarizability
21.91624
Polar Surface Area
155.41
Rotatable Bonds
3
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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