Molecule

ID:131147

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₄O₄Se
Molecular Mass
332.19462
Exact Mass
333.01020092
Charge
0
InChI
InChI=1S/C10H12N4O4Se/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)
InChIKey
MXLAAGNIPFEHEI-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(C(C1O)O)n1cnc2c1[nH]cnc2=[SeH]
Isomeric Smiles
c1[nH]c2c(c(=[SeH])n1)ncn2C1C(C(C(O1)CO)O)O
Calculated Properties
JChem
Acid pKa
7.9714255
H Acceptors
8
H Donor
4
LogD (pH = 5.5)
-2.112518
LogD (pH = 7.4)
-2.2073
Log P
-2.1055
Molar Refractivity
72.7704
Polarizability
23.689762
Polar Surface Area
112.13
Rotatable Bonds
2
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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