Molecule

ID:134445

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₄BrNNaP
Molecular Mass
424.289491
Exact Mass
423.07274268
Charge
0
InChI
InChI=1S/C21H22P.BrH.H2N.Na/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;;;/h3-18H,1-2H3;1H;1H2;/q+1;;-1;+1/p-1
InChIKey
GJZNHDOXOMAUCF-UHFFFAOYSA-M
Canonic Smiles
CC([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C.[Na]N.[Br-]
Isomeric Smiles
CC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.N[Na].[Br-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.297396
LogD (pH = 7.4)
5.297396
Log P
5.297396
Molar Refractivity
96.4378
Polarizability
38.127544
Polar Surface Area
0.0
Rotatable Bonds
4
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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