Molecule

ID:130142

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₄O₇
Molecular Mass
304.25664
Exact Mass
304.10189887
Charge
0
InChI
InChI=1S/C10H16N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-5,9,15-18H,1H2,(H5,11,12,13,14,19)/t2-,3-,4+,5-,9+/m1/s1
InChIKey
KGNGTSCIQCLKEH-SYCVNHKBSA-N
Canonic Smiles
OC[C@H]1O[C@@H](Oc2c(N)[nH]c(nc2=O)N)[C@@H]([C@H]([C@@H]1O)O)O
Isomeric Smiles
O=c1nc(N)[nH]c(c1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)N
Calculated Properties
JChem
Acid pKa
8.214564
H Acceptors
11
H Donor
7
LogD (pH = 5.5)
-4.1764665
LogD (pH = 7.4)
-4.231717
Log P
-4.1756244
Molar Refractivity
75.2652
Polarizability
25.949987
Polar Surface Area
192.88
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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