Molecule

ID:106671

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NOS
Molecular Mass
271.37728
Exact Mass
271.10308517
Charge
0
InChI
InChI=1S/C16H17NOS/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14/h1-10,15H,11-12,17H2/t15-/m0/s1
InChIKey
VYBIVPIOPFLHGF-HNNXBMFYSA-N
Canonic Smiles
O=C([C@H](Cc1ccccc1)N)SCc1ccccc1
Isomeric Smiles
N[C@@H](Cc1ccccc1)C(=O)SCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7152888
LogD (pH = 7.4)
3.2933128
Log P
3.5988338
Molar Refractivity
80.8429
Polarizability
32.030952
Polar Surface Area
43.09
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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