Molecule

ID:210

General Information
Structure
MolImage
Molecular Formula
C₅FeN₆O--
Molecular Mass
215.9381
Exact Mass
215.94829615
Charge
-2
InChI
InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1
InChIKey
ASPOIVQEUUCDQT-UHFFFAOYSA-N
Canonic Smiles
O=N[Fe-2](C#N)(C#N)(C#N)(C#N)C#N
Isomeric Smiles
N#C[Fe-2](C#N)(C#N)(C#N)(C#N)N=O
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
0.0712
LogD (pH = 7.4)
0.0712
Log P
0.0712
Molar Refractivity
39.4351
Polarizability
15.23474
Polar Surface Area
148.38
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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