Molecule

ID:122866

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₄BrO₂P
Molecular Mass
443.313221
Exact Mass
442.06972864
Charge
0
InChI
InChI=1S/C23H24O2P.BrH/c1-4-10-20(11-5-1)26(21-12-6-2-7-13-21,22-14-8-3-9-15-22)19-16-23-24-17-18-25-23;/h1-15,23H,16-19H2;1H/q+1;/p-1
InChIKey
ZCJKBPSRKLHANV-UHFFFAOYSA-M
Canonic Smiles
C1COC(O1)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Isomeric Smiles
[P+](CCC1OCCO1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.958496
LogD (pH = 7.4)
4.958496
Log P
4.958496
Molar Refractivity
106.5286
Polarizability
42.36745
Polar Surface Area
18.46
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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