Molecule

ID:74658

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₄S
Molecular Mass
234.32066
Exact Mass
234.09391747
Charge
0
InChI
InChI=1S/C11H14N4S/c1-8-6-16-10-9(8)13-7-14-11(10)15-4-2-12-3-5-15/h6-7,12H,2-5H2,1H3
InChIKey
MNZBSDAMHRPBLJ-UHFFFAOYSA-N
Canonic Smiles
Cc1csc2c1ncnc2N1CCNCC1
Isomeric Smiles
s1c2c(ncnc2N2CCNCC2)c(c1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.9403344
LogD (pH = 7.4)
0.6603349
Log P
1.991605
Molar Refractivity
66.2291
Polarizability
25.770025
Polar Surface Area
41.05
Rotatable Bonds
1
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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