Molecule

ID:27263

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅N₃OS
Molecular Mass
297.3748
Exact Mass
297.09358312
Charge
0
InChI
InChI=1S/C16H15N3OS/c1-2-10-7-8-15(21-10)14-9-12(16(20)19-17)11-5-3-4-6-13(11)18-14/h3-9H,2,17H2,1H3,(H,19,20)
InChIKey
ZWQYBAYZAOQRBX-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cc(nc2c1cccc2)c1ccc(s1)CC
Isomeric Smiles
c1(cc(c2sc(cc2)CC)nc2c1cccc2)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.657495
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.58493
LogD (pH = 7.4)
3.5857084
Log P
3.5857184
Molar Refractivity
84.7762
Polarizability
34.45324
Polar Surface Area
68.01
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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