Molecule

ID:40379

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NOS
Molecular Mass
207.29202
Exact Mass
207.07178504
Charge
0
InChI
InChI=1S/C11H13NOS/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h1-4,9H,5-8H2
InChIKey
HUIFLINWAKWOBV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)N1CCSCC1
Isomeric Smiles
N1(c2ccc(C=O)cc2)CCSCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.154702
LogD (pH = 7.4)
2.1549478
Log P
2.1549509
Molar Refractivity
62.4307
Polarizability
23.058893
Polar Surface Area
20.31
Rotatable Bonds
2
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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