Molecule

ID:60013

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NOS
Molecular Mass
209.3079
Exact Mass
209.08743511
Charge
0
InChI
InChI=1S/C11H15NOS/c1-13-10-4-2-9(3-5-10)11-8-14-7-6-12-11/h2-5,11-12H,6-8H2,1H3
InChIKey
UZOTYVRGKFWQDG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1NCCSC1
Isomeric Smiles
N1C(c2ccc(cc2)OC)CSCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1118953
LogD (pH = 7.4)
0.5015816
Log P
1.7948492
Molar Refractivity
60.7995
Polarizability
24.07473
Polar Surface Area
21.26
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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