Molecule

ID:16692

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N₃
Molecular Mass
235.28382
Exact Mass
235.11094743
Charge
0
InChI
InChI=1S/C15H13N3/c1-10-6-7-11(8-12(10)16)15-9-17-13-4-2-3-5-14(13)18-15/h2-9H,16H2,1H3
InChIKey
KIPPPIPUONNFEI-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1N)c1cnc2c(n1)cccc2
Isomeric Smiles
c1(c2cc(c(cc2)C)N)nc2c(nc1)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.0110679
LogD (pH = 7.4)
3.0165787
Log P
3.0166495
Molar Refractivity
71.9562
Polarizability
30.080585
Polar Surface Area
51.8
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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