Molecule

ID:105009

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀FeO
Molecular Mass
224.1209
Exact Mass
224.08635276
Charge
0
InChI
InChI=1S/C6H10O.C5H10.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h5-6H,1-4H2;1-5H2;
InChIKey
FUUVNIRGJKDPIS-UHFFFAOYSA-N
Canonic Smiles
C1CCCC1.O=CC1CCCC1.[Fe]
Isomeric Smiles
[Fe].O=CC1CCCC1.C1CCCC1
Calculated Properties
JChem
Acid pKa
16.531357
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2869716
LogD (pH = 7.4)
1.2869716
Log P
1.2869716
Molar Refractivity
28.319498
Polarizability
11.123001
Polar Surface Area
17.07
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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