Molecule

ID:1849

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₀AsO₂+
Molecular Mass
415.336
Exact Mass
415.06792588
Charge
1
InChI
InChI=1S/C24H19AsO2/c26-23-17-16-22(18-24(23)27)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H,(H-,26,27)/p+1
InChIKey
AYGYLFIDAXGERM-UHFFFAOYSA-O
Canonic Smiles
Oc1ccc(cc1O)[As+](c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
Oc1ccc(cc1O)[As+](c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
6.50
LogD (pH = 5.5)
6.59
Log P
6.59
Rotatable Bonds
4
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
8.04
Polar Surface Area
40.46
Polarizability
40.54
Molar Refractivity
105.86
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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