Molecule

ID:34361

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅N₃
Molecular Mass
201.2676
Exact Mass
201.1265975
Charge
0
InChI
InChI=1S/C12H15N3/c1-9-4-3-5-11(6-9)8-15-10(2)7-12(13)14-15/h3-7H,8H2,1-2H3,(H2,13,14)
InChIKey
DIJRRLXCLXOSAL-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)Cn1nc(cc1C)N
Isomeric Smiles
c1cc(cc(c1)C)Cn1nc(cc1C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5874763
LogD (pH = 7.4)
2.6038802
Log P
2.6040933
Molar Refractivity
74.7788
Polarizability
23.150991
Polar Surface Area
43.84
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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