Molecule

ID:2753

General Information
Structure
MolImage
Molecular Formula
C₃H₇NO₂SSe
Molecular Mass
200.11818
Exact Mass
200.93627047
Charge
0
InChI
InChI=1S/C3H7NO2SSe/c4-2(1-7-8)3(5)6/h2,8H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey
KRUPEGHZMWTFPP-REOHCLBHSA-N
Canonic Smiles
N[C@H](C(=O)O)CS[SeH]
Isomeric Smiles
N[C@@H](CS[SeH])C(=O)O
Calculated Properties
JChem
Acid pKa
1.1709679
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.6527612
LogD (pH = 7.4)
-3.6608877
Log P
-3.6527228
Molar Refractivity
41.3508
Polarizability
11.85112
Polar Surface Area
63.32
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-2.89
LOG S
-0.54
Solubility (Water)
5.75e+01 g/l
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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