Molecule

ID:136894

General Information
Structure
MolImage
Molecular Formula
C₈H₈NSSe
Molecular Mass
229.18082
Exact Mass
229.95426626
Charge
0
InChI
InChI=1S/C8H7NSSe/c1-9-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3
InChIKey
VBKDUIRAXCKPOA-UHFFFAOYSA-N
Canonic Smiles
Cn1c(=[SeH])sc2c1cccc2
Isomeric Smiles
Cn1c2ccccc2sc1=[SeH]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.959199
LogD (pH = 7.4)
2.9592
Log P
2.9592
Molar Refractivity
58.6143
Polarizability
17.576271
Polar Surface Area
3.24
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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