Molecule

ID:3212

General Information
Structure
MolImage
Molecular Formula
C₃H₈NO₅PS
Molecular Mass
201.138081
Exact Mass
200.98607999
Charge
0
InChI
InChI=1S/C3H8NO5PS/c4-2(3(5)6)1-11-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
InChIKey
MNEMQJJMDDZXRO-REOHCLBHSA-N
Canonic Smiles
OC(=O)[C@H](CSP(=O)(O)O)N
Isomeric Smiles
N[C@@H](CSP(=O)(O)O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.75
LogD (pH = 5.5)
-5.51
Log P
-2.90
Rotatable Bonds
4
H Donor
4
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
1.66
Polar Surface Area
120.85
Polarizability
16.12
Molar Refractivity
39.52
LOG S
0.90
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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