Molecule

ID:26640

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂OS
Molecular Mass
300.4185
Exact Mass
300.12963427
Charge
0
InChI
InChI=1S/C17H20N2OS/c18-16-15(17(20)19-12-8-4-3-5-9-12)13-10-6-1-2-7-11-14(13)21-16/h3-5,8-9H,1-2,6-7,10-11,18H2,(H,19,20)
InChIKey
FCPXNZXKVCSZFC-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(N)sc2c1CCCCCC2)Nc1ccccc1
Isomeric Smiles
c1(c(sc2c1CCCCCC2)N)C(=O)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
11.845012
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.306472
LogD (pH = 7.4)
5.306459
Log P
5.3064737
Molar Refractivity
89.1799
Polarizability
32.890274
Polar Surface Area
55.12
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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