Molecule

ID:73956

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈N₂S
Molecular Mass
282.40322
Exact Mass
282.11906959
Charge
0
InChI
InChI=1S/C17H18N2S/c1-3-7-15-13(5-1)17(19-11-9-18-10-12-19)14-6-2-4-8-16(14)20-15/h1-8,17-18H,9-12H2
InChIKey
CUXSJLSLVOMBMO-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)C1c2ccccc2Sc2c1cccc2
Isomeric Smiles
S1c2c(cccc2)C(N2CCNCC2)c2ccccc12
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.2356863
LogD (pH = 7.4)
1.5588827
Log P
3.378458
Molar Refractivity
86.265
Polarizability
33.810795
Polar Surface Area
15.27
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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