Molecule

ID:34777

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₄O₂S
Molecular Mass
278.33016
Exact Mass
278.08374671
Charge
0
InChI
InChI=1S/C12H14N4O2S/c13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8/h1-6H,13-16H2
InChIKey
JKETWUADWJKEKN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1N)S(=O)(=O)c1ccc(c(c1)N)N
Isomeric Smiles
S(=O)(=O)(c1cc(c(cc1)N)N)c1cc(c(cc1)N)N
Calculated Properties
JChem
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-0.3883174
LogD (pH = 7.4)
-0.3876321
Log P
-0.38762337
Molar Refractivity
78.3918
Polarizability
28.957195
Polar Surface Area
138.22
Rotatable Bonds
2
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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