Molecule

ID:15135

General Information
Structure
MolImage
Molecular Formula
C₇H₉NOS
Molecular Mass
155.21746
Exact Mass
155.04048491
Charge
0
InChI
InChI=1S/C7H9NOS/c1-8(2)7-4-3-6(5-9)10-7/h3-5H,1-2H3
InChIKey
RRQFJMCAGDOEPI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(s1)N(C)C
Isomeric Smiles
c1(sc(cc1)C=O)N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8726693
LogD (pH = 7.4)
1.8726693
Log P
1.8726693
Molar Refractivity
43.1204
Polarizability
15.72408
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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