Molecule

ID:111440

General Information
Structure
MolImage
Molecular Formula
C₄H₁₂ClO₄P
Molecular Mass
190.562441
Exact Mass
190.01617317
Charge
0
InChI
InChI=1S/C4H12O4P.ClH/c5-1-9(2-6,3-7)4-8;/h5-8H,1-4H2;1H/q+1;/p-1
InChIKey
AKXUUJCMWZFYMV-UHFFFAOYSA-M
Canonic Smiles
OC[P+](CO)(CO)CO.[Cl-]
Isomeric Smiles
[Cl-].OC[P+](CO)(CO)CO
Calculated Properties
JChem
Acid pKa
14.059018
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-3.4872844
LogD (pH = 7.4)
-3.4872844
Log P
-3.4872844
Molar Refractivity
33.1412
Polarizability
13.8361025
Polar Surface Area
80.92
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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