Molecule

ID:7900

General Information
Structure
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Molecular Formula
C₇H₅NSe
Molecular Mass
182.0813
Exact Mass
182.95872017
Charge
0
InChI
InChI=1S/C7H5NSe/c8-6-9-7-4-2-1-3-5-7/h1-5H
InChIKey
NODWRXQVQYOJGN-UHFFFAOYSA-N
Canonic Smiles
N#C[Se]c1ccccc1
Isomeric Smiles
c1cccc(c1)[Se]C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6396
LogD (pH = 7.4)
1.6396
Log P
1.6396
Molar Refractivity
45.2448
Polarizability
11.992111
Polar Surface Area
23.79
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
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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