Molecule

ID:56028

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NOS
Molecular Mass
271.37728
Exact Mass
271.10308517
Charge
0
InChI
InChI=1S/C16H17NOS/c1-10-6-8-11(9-7-10)15(18)14-12-4-2-3-5-13(12)19-16(14)17/h6-9H,2-5,17H2,1H3
InChIKey
JYZWVEXZUHVDBR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(=O)c1c(N)sc2c1CCCC2
Isomeric Smiles
c1(c(sc2c1CCCC2)N)C(=O)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.298226
LogD (pH = 7.4)
5.298226
Log P
5.298226
Molar Refractivity
80.0611
Polarizability
30.008162
Polar Surface Area
43.09
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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