Molecule

ID:26634

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂OS
Molecular Mass
300.4185
Exact Mass
300.12963427
Charge
0
InChI
InChI=1S/C17H20N2OS/c1-11-7-5-6-9-13(11)19-17(20)15-12-8-3-2-4-10-14(12)21-16(15)18/h5-7,9H,2-4,8,10,18H2,1H3,(H,19,20)
InChIKey
NQWPDVFOGPFAKH-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(N)sc2c1CCCCC2)Nc1ccccc1C
Isomeric Smiles
c1(c(sc2c1CCCCC2)N)C(=O)Nc1c(C)cccc1
Calculated Properties
JChem
Acid pKa
11.955415
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.3753247
LogD (pH = 7.4)
5.3753147
Log P
5.375326
Molar Refractivity
89.6201
Polarizability
32.81378
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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