Molecule

ID:35846

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NOS
Molecular Mass
199.31308
Exact Mass
199.10308517
Charge
0
InChI
InChI=1S/C10H17NOS/c1-9(10-5-3-8-13-10)11-6-4-7-12-2/h3,5,8-9,11H,4,6-7H2,1-2H3
InChIKey
ZEGGMKQRGHHDEF-UHFFFAOYSA-N
Canonic Smiles
COCCCNC(c1cccs1)C
Isomeric Smiles
c1(sccc1)C(NCCCOC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2765576
LogD (pH = 7.4)
-0.07976141
Log P
1.8740352
Molar Refractivity
56.5236
Polarizability
22.241926
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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