Molecule

ID:75134

General Information
Structure
MolImage
Molecular Formula
C₇H₄N₂O₂Se
Molecular Mass
227.07886
Exact Mass
227.94379838
Charge
0
InChI
InChI=1S/C7H4N2O2Se/c8-5-12-7-4-2-1-3-6(7)9(10)11/h1-4H
InChIKey
LHBLJWULWKQRON-UHFFFAOYSA-N
Canonic Smiles
N#C[Se]c1ccccc1[N+](=O)[O-]
Isomeric Smiles
[Se](c1c(cccc1)[N+](=O)[O-])C#N
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.5932
LogD (pH = 7.4)
1.5932
Log P
1.5932
Molar Refractivity
51.5653
Polarizability
14.21178
Polar Surface Area
66.93
Rotatable Bonds
2
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
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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
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Bioactivity
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