Molecule

ID:112574

General Information
Structure
MolImage
Molecular Formula
C₁₄H₃₀FeIN
Molecular Mass
395.14417
Exact Mass
395.07723547
Charge
0
InChI
InChI=1S/C9H20N.C5H10.Fe.HI/c1-10(2,3)8-9-6-4-5-7-9;1-2-4-5-3-1;;/h9H,4-8H2,1-3H3;1-5H2;;1H/q+1;;;/p-1
InChIKey
GVSOEKDFOLEPFH-UHFFFAOYSA-M
Canonic Smiles
C1CCCC1.C[N+](CC1CCCC1)(C)C.[Fe].[I-]
Isomeric Smiles
[Fe].[I-].C1CCCC1.C[N+](C)(C)CC1CCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-2.3024526
LogD (pH = 7.4)
-2.3024526
Log P
-2.3024526
Molar Refractivity
57.0457
Polarizability
18.064388
Polar Surface Area
0.0
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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