Molecule

ID:29268

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NOS
Molecular Mass
233.3293
Exact Mass
233.08743511
Charge
0
InChI
InChI=1S/C13H15NOS/c1-2-5-12(6-3-1)15-9-8-14-11-13-7-4-10-16-13/h1-7,10,14H,8-9,11H2
InChIKey
LHGWPOOGYIVRJK-UHFFFAOYSA-N
Canonic Smiles
C(NCc1cccs1)COc1ccccc1
Isomeric Smiles
s1c(ccc1)CNCCOc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.11262491
LogD (pH = 7.4)
1.6640933
Log P
3.0885255
Molar Refractivity
66.7481
Polarizability
26.301554
Polar Surface Area
21.26
Rotatable Bonds
6
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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