Molecule

ID:68226

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₄O₅
Molecular Mass
302.67114
Exact Mass
302.04179715
Charge
0
InChI
InChI=1S/C10H11ClN4O5/c11-8-5-9(13-2-12-8)15(3-14-5)20-10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2/t4-,6-,7-,10?/m1/s1
InChIKey
VWALXVRWDCQLCN-VTHZCTBJSA-N
Canonic Smiles
OC[C@H]1OC([C@@H]([C@@H]1O)O)On1cnc2c1ncnc2Cl
Isomeric Smiles
n1cn(c2ncnc(c12)Cl)OC1[C@H](O)[C@H](O)[C@H](O1)CO
Calculated Properties
JChem
Acid pKa
12.216737
H Acceptors
8
H Donor
3
LogD (pH = 5.5)
-1.5504196
LogD (pH = 7.4)
-1.5503021
Log P
-1.5502939
Molar Refractivity
66.8087
Polarizability
26.19174
Polar Surface Area
122.75
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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