Molecule

ID:103659

General Information
Structure
Molecular Formula
H₃Mo₁₂O₄₀P
Molecular Mass
1825.493581
Exact Mass
1848.65871753
Charge
0
InChI
InChI=1S/12Mo.H3O4P.36O/c;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;(H3,1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKey
DHRLEVQXOMLTIM-UHFFFAOYSA-N
Canonic Smiles
OP(=O)(O)O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O
Isomeric Smiles
OP(=O)(O)O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O.O=[Mo](=O)=O
Calculated Properties
JChem
Acid pKa
1.7961261
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.3916447
LogD (pH = 7.4)
-3.9718332
Log P
-1.0201038
Molar Refractivity
14.6519
Polarizability
5.927813
Polar Surface Area
77.76
Rotatable Bonds
0
Lipinski's Rule of Five
false
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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