Molecule

ID:16547

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NOS
Molecular Mass
195.28132
Exact Mass
195.07178504
Charge
0
InChI
InChI=1S/C10H13NOS/c12-8-9-4-5-10(13-9)11-6-2-1-3-7-11/h4-5,8H,1-3,6-7H2
InChIKey
SFDXRMCPPLZJBG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(s1)N1CCCCC1
Isomeric Smiles
c1(sc(cc1)C=O)N1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7230356
LogD (pH = 7.4)
2.7230356
Log P
2.7230356
Molar Refractivity
55.2624
Polarizability
20.509117
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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