Molecule

ID:77508

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NOS
Molecular Mass
209.3079
Exact Mass
209.08743511
Charge
0
InChI
InChI=1S/C11H15NOS/c13-9-10-3-5-12(6-4-10)8-11-2-1-7-14-11/h1-2,7,9-10H,3-6,8H2
InChIKey
OFWNPGKHQWPCKS-UHFFFAOYSA-N
Canonic Smiles
O=CC1CCN(CC1)Cc1cccs1
Isomeric Smiles
s1c(ccc1)CN1CCC(CC1)C=O
Calculated Properties
JChem
Acid pKa
14.91242
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.0271534
LogD (pH = 7.4)
0.7404038
Log P
1.7420183
Molar Refractivity
58.9471
Polarizability
22.73727
Polar Surface Area
20.31
Rotatable Bonds
3
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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