Molecule

ID:44471

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄BrNOS
Molecular Mass
288.20396
Exact Mass
286.99794707
Charge
0
InChI
InChI=1S/C11H14BrNOS/c12-5-7-14-10-3-1-9(2-4-10)11-13-6-8-15-11/h1-4,11,13H,5-8H2
InChIKey
BKAUWTAOEQBMRE-UHFFFAOYSA-N
Canonic Smiles
BrCCOc1ccc(cc1)C1NCCS1
Isomeric Smiles
C1(NCCS1)c1ccc(cc1)OCCBr
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.4576438
LogD (pH = 7.4)
2.1799319
Log P
2.7825918
Molar Refractivity
68.2315
Polarizability
26.72249
Polar Surface Area
21.26
Rotatable Bonds
4
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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