Molecule

ID:48526

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N₃
Molecular Mass
225.289
Exact Mass
225.1265975
Charge
0
InChI
InChI=1S/C14H15N3/c15-13-6-3-8-16-14(13)17-9-7-11-4-1-2-5-12(11)10-17/h1-6,8H,7,9-10,15H2
InChIKey
PDWIXUPKLCRNMD-UHFFFAOYSA-N
Canonic Smiles
Nc1cccnc1N1CCc2c(C1)cccc2
Isomeric Smiles
N1(c2ncccc2N)Cc2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2080524
LogD (pH = 7.4)
2.2657697
Log P
2.3935103
Molar Refractivity
71.2658
Polarizability
26.031366
Polar Surface Area
42.15
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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