Molecule

ID:26772

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O₂S
Molecular Mass
254.34852
Exact Mass
254.10889883
Charge
0
InChI
InChI=1S/C12H18N2O2S/c1-2-11-3-5-12(6-4-11)17(15,16)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3
InChIKey
SRABBUBLBVIBRF-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)S(=O)(=O)N1CCNCC1
Isomeric Smiles
S(=O)(=O)(N1CCNCC1)c1ccc(cc1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.21295428
LogD (pH = 7.4)
1.2500997
Log P
1.4486904
Molar Refractivity
68.4069
Polarizability
27.370619
Polar Surface Area
49.41
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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