Molecule

ID:111575

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄Fe
Molecular Mass
214.08456
Exact Mass
214.04448795
Charge
0
InChI
InChI=1S/C7H8.C5H6.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h2-5H,1,6H2;1-4H,5H2;
InChIKey
IJPPGMMLWWNHLG-UHFFFAOYSA-N
Canonic Smiles
C1C=CC=C1.C=CC1=CC=CC1.[Fe]
Isomeric Smiles
[Fe].C1C=CC=C1.C=CC1=CC=CC1
Calculated Properties
JChem
Acid pKa
15.966834
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.882942
LogD (pH = 7.4)
1.882942
Log P
1.882942
Molar Refractivity
34.1653
Polarizability
12.24927
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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