Molecule

ID:77583

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂OS
Molecular Mass
210.29596
Exact Mass
210.08268408
Charge
0
InChI
InChI=1S/C10H14N2OS/c13-10(9-3-1-8-14-9)12-6-2-4-11-5-7-12/h1,3,8,11H,2,4-7H2
InChIKey
WSYAIIHKVJXWDY-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccs1)N1CCNCCC1
Isomeric Smiles
s1c(ccc1)C(=O)N1CCCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.170744
LogD (pH = 7.4)
-0.5378511
Log P
0.708151
Molar Refractivity
57.4405
Polarizability
21.84916
Polar Surface Area
32.34
Rotatable Bonds
1
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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