Molecule

ID:16472

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₄S
Molecular Mass
230.2889
Exact Mass
230.06261734
Charge
0
InChI
InChI=1S/C11H10N4S/c1-7-6-10(12)15(14-7)11-13-8-4-2-3-5-9(8)16-11/h2-6H,12H2,1H3
InChIKey
MAVWAUNAOWRFBW-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1)N)c1nc2c(s1)cccc2
Isomeric Smiles
n1(c2nc3c(s2)cccc3)nc(cc1N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.269214
LogD (pH = 7.4)
2.2751987
Log P
2.2752755
Molar Refractivity
63.5089
Polarizability
24.931013
Polar Surface Area
56.73
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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