Molecule

ID:105101

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉NOSe
Molecular Mass
274.17666
Exact Mass
274.98493491
Charge
0
InChI
InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
InChIKey
DYEFUKCXAQOFHX-UHFFFAOYSA-N
Canonic Smiles
O=c1c2ccccc2[se]n1c1ccccc1
Isomeric Smiles
O=c1n([se]c2c1cccc2)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
2.65
LogD (pH = 5.5)
2.65
Log P
2.65
Rotatable Bonds
1
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-5.07
Polar Surface Area
20.31
Polarizability
23.06
Molar Refractivity
71.54
LOG S
-3.01
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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