Molecule

ID:90382

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅N₃
Molecular Mass
201.2676
Exact Mass
201.1265975
Charge
0
InChI
InChI=1S/C12H15N3/c1-10-11(8-13-2)9-14-15(10)12-6-4-3-5-7-12/h3-7,9,13H,8H2,1-2H3
InChIKey
PYMKNYBFTGMBJN-UHFFFAOYSA-N
Canonic Smiles
CNCc1cnn(c1C)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)ncc(c1C)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2637113
LogD (pH = 7.4)
0.13165899
Log P
1.8169745
Molar Refractivity
62.8174
Polarizability
24.418037
Polar Surface Area
29.85
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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