Molecule

ID:103053

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N₃
Molecular Mass
225.289
Exact Mass
225.1265975
Charge
0
InChI
InChI=1S/C14H15N3/c1-12-7-9-14(10-8-12)16-17-15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,15,16)
InChIKey
IWCGEJKKDAJKJE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)/N=N/NCc1ccccc1
Isomeric Smiles
Cc1ccc(cc1)/N=N/NCc1ccccc1
Calculated Properties
JChem
Acid pKa
19.536463
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.5028963
LogD (pH = 7.4)
4.5030165
Log P
4.503018
Molar Refractivity
84.1681
Polarizability
26.650015
Polar Surface Area
36.75
Rotatable Bonds
4
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
No Data Available
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Molecule Details
References
Bioactivity
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