Molecule

ID:10546

General Information
Structure
MolImage
Molecular Formula
C₃₄H₃₈FeP₂
Molecular Mass
564.458042
Exact Mass
564.17981198
Charge
0
InChI
InChI=1S/2C17H19P.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h2*1-6,9-12,17H,7-8,13-14H2;
InChIKey
ZIEQNLQJWACVCA-UHFFFAOYSA-N
Canonic Smiles
C1CCC(C1)P(c1ccccc1)c1ccccc1.C1CCC(C1)P(c1ccccc1)c1ccccc1.[Fe]
Isomeric Smiles
[Fe].C1CCC(C1)P(c1ccccc1)c1ccccc1.C1CCC(C1)P(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.7655
LogD (pH = 7.4)
4.7655
Log P
4.7655
Molar Refractivity
77.2799
Polarizability
30.609009
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Synonyms
1,1'-Bis(diphenylphosphino)ferrocene
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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