Molecule

ID:84041

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅IN₂OS
Molecular Mass
338.20837
Exact Mass
337.99498211
Charge
0
InChI
InChI=1S/C10H14N2OS.HI/c1-11-10(14-3)12-8-4-6-9(13-2)7-5-8;/h4-7H,1-3H3,(H,11,12);1H
InChIKey
NAHZOTYAKATMFM-UHFFFAOYSA-N
Canonic Smiles
CS/C(=N\C)/Nc1ccc(cc1)OC.I
Isomeric Smiles
N(c1ccc(cc1)OC)/C(=N/C)/SC.I
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9528467
LogD (pH = 7.4)
2.4120038
Log P
2.6635432
Molar Refractivity
62.2573
Polarizability
23.316336
Polar Surface Area
33.62
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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
Bioactivity
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