Molecule

ID:74853

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₄BrO₂P
Molecular Mass
443.313221
Exact Mass
442.06972864
Charge
0
InChI
InChI=1S/C23H23O2P.BrH/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H
InChIKey
MLOSJPZSZWUDSK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCCCC(=O)O.[Br-]
Calculated Properties
JChem
Acid pKa
3.8977032
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4681077
LogD (pH = 7.4)
1.8612405
Log P
5.076017
Molar Refractivity
107.3612
Polarizability
42.217678
Polar Surface Area
37.3
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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