Molecule

ID:26638

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂OS
Molecular Mass
292.43956
Exact Mass
292.1609344
Charge
0
InChI
InChI=1S/C16H24N2OS/c17-15-14(12-9-5-2-6-10-13(12)20-15)16(19)18-11-7-3-1-4-8-11/h11H,1-10,17H2,(H,18,19)
InChIKey
VDVQSYPEPJEGSW-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(N)sc2c1CCCCC2)NC1CCCCC1
Isomeric Smiles
c1(c(sc2c1CCCCC2)N)C(=O)NC1CCCCC1
Calculated Properties
JChem
Acid pKa
15.95096
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.6436033
LogD (pH = 7.4)
4.643607
Log P
4.643607
Molar Refractivity
84.0347
Polarizability
31.597292
Polar Surface Area
55.12
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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