Molecule

ID:78427

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₈Cl₂O₆P₂
Molecular Mass
413.211342
Exact Mass
412.07381724
Charge
0
InChI
InChI=1S/C13H28Cl2O6P2/c1-9(2)18-22(16,19-10(3)4)13(14,15)23(17,20-11(5)6)21-12(7)8/h9-12H,1-8H3
InChIKey
OMTPMIYCEZYHFY-UHFFFAOYSA-N
Canonic Smiles
CC(OP(=O)(C(P(=O)(OC(C)C)OC(C)C)(Cl)Cl)OC(C)C)C
Isomeric Smiles
P(=O)(C(P(=O)(OC(C)C)OC(C)C)(Cl)Cl)(OC(C)C)OC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.1644187
LogD (pH = 7.4)
5.1644187
Log P
5.1644187
Molar Refractivity
92.8124
Polarizability
37.961056
Polar Surface Area
71.06
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