Molecule

ID:29400

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉NOS
Molecular Mass
309.42526
Exact Mass
309.11873523
Charge
0
InChI
InChI=1S/C19H19NOS/c1-2-5-16(6-3-1)12-13-21-18-10-8-17(9-11-18)20-15-19-7-4-14-22-19/h1-11,14,20H,12-13,15H2
InChIKey
BKJRXPAVQXEEEB-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCOc1ccc(cc1)NCc1cccs1
Isomeric Smiles
s1c(ccc1)CNc1ccc(cc1)OCCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.8864694
LogD (pH = 7.4)
4.938141
Log P
4.9388413
Molar Refractivity
93.5851
Polarizability
35.44348
Polar Surface Area
21.26
Rotatable Bonds
7
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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