Molecule

ID:77454

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₂S
Molecular Mass
209.26484
Exact Mass
209.0510496
Charge
0
InChI
InChI=1S/C10H11NO2S/c12-8-11-10(3-5-13-6-4-10)9-2-1-7-14-9/h1-2,7H,3-6H2
InChIKey
CDJWJYYYKMFRFC-UHFFFAOYSA-N
Canonic Smiles
O=C=NC1(CCOCC1)c1cccs1
Isomeric Smiles
s1cccc1C1(CCOCC1)N=C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4796897
LogD (pH = 7.4)
1.4796897
Log P
1.4796897
Molar Refractivity
53.2058
Polarizability
20.53482
Polar Surface Area
38.66
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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