Molecule

ID:125188

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₅Se
Molecular Mass
298.19498
Exact Mass
299.02719365
Charge
0
InChI
InChI=1S/C9H17NO5Se/c1-4(12)10-6-8(14)7(13)5(3-11)15-9(6)16-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7+,8-,9+/m1/s1
InChIKey
AZZZNYGPGINRNT-ZEBDFXRSSA-N
Canonic Smiles
C[Se][C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1NC(=O)C)O)O
Isomeric Smiles
O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H]([Se]C)[C@@H]1NC(=O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-2.59
LogD (pH = 5.5)
-2.59
Log P
-2.59
Rotatable Bonds
3
H Donor
4
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
12.55
Polar Surface Area
99.02
Polarizability
24.20
Molar Refractivity
63.22
LOG S
0.63
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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