Molecule

ID:110066

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄FeO
Molecular Mass
240.16336
Exact Mass
240.11765289
Charge
0
InChI
InChI=1S/C7H14O.C5H10.Fe/c8-6-5-7-3-1-2-4-7;1-2-4-5-3-1;/h7-8H,1-6H2;1-5H2;
InChIKey
SNARYPDREKUDMK-UHFFFAOYSA-N
Canonic Smiles
C1CCCC1.OCCC1CCCC1.[Fe]
Isomeric Smiles
[Fe].C1CCCC1.OCCC1CCCC1
Calculated Properties
JChem
Acid pKa
17.086626
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5177524
LogD (pH = 7.4)
1.5177525
Log P
1.5177525
Molar Refractivity
34.0833
Polarizability
13.512976
Polar Surface Area
20.23
Rotatable Bonds
2
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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