Molecule

ID:59488

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂OS
Molecular Mass
262.37052
Exact Mass
262.11398421
Charge
0
InChI
InChI=1S/C14H18N2OS/c1-10(14-9-18-11(2)16-14)15-8-12-4-6-13(17-3)7-5-12/h4-7,9-10,15H,8H2,1-3H3
InChIKey
AOYGNKWYXJKAIN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNC(c1csc(n1)C)C
Isomeric Smiles
n1c(csc1C)C(NCc1ccc(cc1)OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.46378273
LogD (pH = 7.4)
2.122712
Log P
2.5304902
Molar Refractivity
74.0026
Polarizability
29.016047
Polar Surface Area
34.15
Rotatable Bonds
5
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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