Molecule

ID:1683

General Information
Structure
Molecular Formula
C₃H₇NO₃S
Molecular Mass
137.15758
Exact Mass
137.01466409
Charge
0
InChI
InChI=1S/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey
FXIRVRPOOYSARH-REOHCLBHSA-N
Canonic Smiles
OSC[C@@H](C(=O)O)N
Isomeric Smiles
N[C@@H](CSO)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-3.19
LogD (pH = 5.5)
-3.17
Log P
-3.17
Rotatable Bonds
3
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
1.87
Polar Surface Area
83.55
Polarizability
12.31
Molar Refractivity
30.00
LOG S
-0.23
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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