Molecule

ID:135749

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅AuClO₃P
Molecular Mass
542.703211
Exact Mass
542.01130165
Charge
0
InChI
InChI=1S/C18H15O3P.Au.ClH/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;;/h1-15H;;1H/q;+1;/p-1
InChIKey
DADNGSZZNVQSMJ-UHFFFAOYSA-M
Canonic Smiles
c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1.[Au]Cl
Isomeric Smiles
c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1.Cl[Au]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.9509997
LogD (pH = 7.4)
5.951
Log P
5.951
Molar Refractivity
87.3095
Polarizability
34.251812
Polar Surface Area
27.69
Rotatable Bonds
6
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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