Molecule

ID:115135

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁N₅O
Molecular Mass
241.24864
Exact Mass
241.09636
Charge
0
InChI
InChI=1S/C12H11N5O/c1-8-2-4-9(5-3-8)17-11-10(6-15-17)12(18)16(13)7-14-11/h2-7H,13H2,1H3
InChIKey
ISBVKEUKRZYSQV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)n1ncc2c1ncn(c2=O)N
Isomeric Smiles
c12c(c(=O)n(cn2)N)cnn1c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.116394
LogD (pH = 7.4)
1.116792
Log P
1.116797
Molar Refractivity
70.0397
Polarizability
25.258524
Polar Surface Area
76.51
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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