Molecule

ID:110462

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Fe
Molecular Mass
186.0314
Exact Mass
186.01318782
Charge
0
InChI
InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;
InChIKey
DFRHTHSZMBROSH-UHFFFAOYSA-N
Canonic Smiles
C12C3C4C5C1[Fe]16782345C2C1C7C8C62
Isomeric Smiles
C12C3C4C5C1[Fe]16782345C2C1C6C7C82
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-2.113
LogD (pH = 7.4)
-2.113
Log P
-2.113
Molar Refractivity
34.809
Polarizability
17.810307
Polar Surface Area
0.0
Rotatable Bonds
0
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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