Molecule

ID:14512

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O₂S
Molecular Mass
254.34852
Exact Mass
254.10889883
Charge
0
InChI
InChI=1S/C12H18N2O2S/c1-10-3-2-8-14(9-10)17(15,16)12-6-4-11(13)5-7-12/h4-7,10H,2-3,8-9,13H2,1H3
InChIKey
USLQEPOHTJUPHK-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)N
Isomeric Smiles
S(=O)(=O)(N1CC(CCC1)C)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4126911
LogD (pH = 7.4)
1.4130373
Log P
1.4130417
Molar Refractivity
69.3233
Polarizability
27.066498
Polar Surface Area
63.4
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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