Molecule

ID:2086

General Information
Structure
Molecular Formula
C₃H₇NO₂Se
Molecular Mass
168.05318
Exact Mass
168.96419947
Charge
0
InChI
InChI=1S/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey
ZKZBPNGNEQAJSX-REOHCLBHSA-N
Canonic Smiles
N[C@H](C(=O)O)C[SeH]
Isomeric Smiles
N[C@@H](C[SeH])C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.00
LogD (pH = 5.5)
-4.06
Log P
-4.06
Rotatable Bonds
2
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
2.27
Polar Surface Area
63.32
Polarizability
10.76
Molar Refractivity
33.45
LOG S
0.55
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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