Molecule

ID:130031

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅Cl₆O₄P
Molecular Mass
430.904761
Exact Mass
427.88391167
Charge
0
InChI
InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2
InChIKey
ASLWPAWFJZFCKF-UHFFFAOYSA-N
Canonic Smiles
ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl
Isomeric Smiles
O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.280019
LogD (pH = 7.4)
4.280019
Log P
4.280019
Molar Refractivity
83.1692
Polarizability
34.287674
Polar Surface Area
44.76
Rotatable Bonds
12
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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