Molecule

ID:112415

General Information
Structure
Molecular Formula
C₃₀H₂₅O₅Ta
Molecular Mass
646.4644
Exact Mass
646.1181939
Charge
0
InChI
InChI=1S/5C6H6O.Ta/c5*7-6-4-2-1-3-5-6;/h5*1-5,7H;/q;;;;;+5/p-5
InChIKey
TULPIGUCPSGZIA-UHFFFAOYSA-I
Canonic Smiles
c1ccc(cc1)O[Ta](Oc1ccccc1)(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
Isomeric Smiles
O(c1ccccc1)[Ta](Oc1ccccc1)(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
9.367
LogD (pH = 7.4)
9.367
Log P
9.367
Molar Refractivity
134.1225
Polarizability
59.36796
Polar Surface Area
46.15
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation