Molecule

ID:111479

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NSe
Molecular Mass
224.16104
Exact Mass
225.00567036
Charge
0
InChI
InChI=1S/C10H11NSe/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3
InChIKey
LCZZKJPVZHCFMK-UHFFFAOYSA-N
Canonic Smiles
Cc1[se]c2c(n1)cc(c(c2)C)C
Isomeric Smiles
Cc1nc2cc(C)c(C)cc2[se]1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8490958
LogD (pH = 7.4)
2.8540366
Log P
2.8541
Molar Refractivity
59.0109
Polarizability
17.56116
Polar Surface Area
12.89
Rotatable Bonds
0
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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