Molecule

ID:78482

General Information
Structure
MolImage
Molecular Formula
C₃₄H₃₀FeP₂
Molecular Mass
556.394522
Exact Mass
556.11721172
Charge
0
InChI
InChI=1S/2C17H15P.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h2*1-14,17H;
InChIKey
KJHQTQYCAZOYIK-UHFFFAOYSA-N
Canonic Smiles
C1=CC(C=C1)P(c1ccccc1)c1ccccc1.C1=CC(C=C1)P(c1ccccc1)c1ccccc1.[Fe]
Isomeric Smiles
P(C1C=CC=C1)(c1ccccc1)c1ccccc1.P(C1C=CC=C1)(c1ccccc1)c1ccccc1.[Fe]
Calculated Properties
JChem
Acid pKa
12.944129
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.49
LogD (pH = 7.4)
4.489999
Log P
4.49
Molar Refractivity
80.1345
Polarizability
30.73681
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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