Molecule

ID:76712

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₂S₂
Molecular Mass
308.41904
Exact Mass
308.06531976
Charge
0
InChI
InChI=1S/C14H16N2O2S2/c1-4-18-13(17)11-12(15)16(14(19)20-11)10-8(2)6-5-7-9(10)3/h5-7H,4,15H2,1-3H3
InChIKey
XNUXCOWFAZZTNQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc(=S)n(c1N)c1c(C)cccc1C
Isomeric Smiles
n1(c2c(cccc2C)C)c(c(C(=O)OCC)sc1=S)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.103521
LogD (pH = 7.4)
4.1035237
Log P
4.1035237
Molar Refractivity
97.3447
Polarizability
33.518738
Polar Surface Area
55.56
Rotatable Bonds
3
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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