Molecule

ID:27708

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₂S₂
Molecular Mass
310.43492
Exact Mass
310.08096983
Charge
0
InChI
InChI=1S/C14H18N2O2S2/c1-2-13-5-3-4-10-16(13)20(17,18)14-8-6-12(7-9-14)15-11-19/h6-9,13H,2-5,10H2,1H3
InChIKey
BBEKMHRPEGEBBA-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1S(=O)(=O)c1ccc(cc1)N=C=S
Isomeric Smiles
S(=O)(=O)(N1C(CC)CCCC1)c1ccc(N=C=S)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.837917
LogD (pH = 7.4)
3.8379176
Log P
3.8379176
Molar Refractivity
86.157
Polarizability
33.454834
Polar Surface Area
49.74
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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