Molecule

ID:33417

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N₃
Molecular Mass
225.289
Exact Mass
225.1265975
Charge
0
InChI
InChI=1S/C14H15N3/c1-10-3-6-12(7-4-10)16-17-14-9-11(2)5-8-13(14)15/h3-9H,15H2,1-2H3/b17-16+
InChIKey
BBVUAJTZGSWJDD-WUKNDPDISA-N
Canonic Smiles
Cc1ccc(cc1)/N=N/c1cc(C)ccc1N
Isomeric Smiles
N(=N\c1ccc(cc1)C)/c1c(ccc(c1)C)N
Calculated Properties
JChem
Acid pKa
18.684029
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.5770197
LogD (pH = 7.4)
4.577056
Log P
4.5770564
Molar Refractivity
75.1598
Polarizability
26.250525
Polar Surface Area
50.74
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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