Molecule

ID:77915

General Information
Structure
MolImage
Molecular Formula
C₂₆H₄₆FeP₂
Molecular Mass
476.435962
Exact Mass
476.24241223
Charge
0
InChI
InChI=1S/2C13H23P.Fe/c2*1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;/h2*7-11H,1-6H3;
InChIKey
GZNHIDHPUGYONB-UHFFFAOYSA-N
Canonic Smiles
CC(P(C(C)(C)C)C1C=CC=C1)(C)C.CC(P(C(C)(C)C)C1C=CC=C1)(C)C.[Fe]
Isomeric Smiles
P(C1C=CC=C1)(C(C)(C)C)C(C)(C)C.P(C1C=CC=C1)(C(C)(C)C)C(C)(C)C.[Fe]
Calculated Properties
JChem
Acid pKa
15.968721
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.377459
LogD (pH = 7.4)
2.4069123
Log P
2.825
Molar Refractivity
73.0006
Polarizability
26.22953
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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