Molecule

ID:74852

General Information
Structure
MolImage
Molecular Formula
C₂₇H₃₄BrO₂P
Molecular Mass
501.435421
Exact Mass
500.14797896
Charge
0
InChI
InChI=1S/C27H34O2P.BrH/c1-22(2)28-27(29-23(3)4)20-21-30(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26;/h5-19,22-23,27H,20-21H2,1-4H3;1H/q+1;/p-1
InChIKey
AAVVGPXJZLGGPO-UHFFFAOYSA-M
Canonic Smiles
CC(OC(OC(C)C)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C.[Br-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCC(OC(C)C)OC(C)C.[Br-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.676787
LogD (pH = 7.4)
6.676787
Log P
6.676787
Molar Refractivity
126.8324
Polarizability
50.49111
Polar Surface Area
18.46
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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