Molecule

ID:81827

General Information
Structure
MolImage
Molecular Formula
C₁₁H₃FeO
Molecular Mass
206.98592
Exact Mass
206.95332722
Charge
0
InChI
InChI=1S/C6H3O.C5.Fe/c7-5-6-3-1-2-4-6;1-2-4-5-3-1;/h7H,5H2;;
InChIKey
HJBQLWJYOUMGPW-UHFFFAOYSA-N
Canonic Smiles
[C]1[C][C][C][C]1.OC[C]1[C][C][C][C]1.[Fe]
Isomeric Smiles
OC[C]1[C][C][C][C]1.[Fe].[C]1[C][C][C][C]1
Calculated Properties
JChem
Acid pKa
14.182783
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.049000002
LogD (pH = 7.4)
-0.049000073
Log P
-0.049
Molar Refractivity
27.3016
Polarizability
9.357974
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Synonyms
Hydroxymethyl ferrocene
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
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References
Bioactivity
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