Molecule

ID:110452

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N₃
Molecular Mass
239.31558
Exact Mass
239.14224756
Charge
0
InChI
InChI=1S/C15H17N3/c1-12-4-6-13(7-5-12)16-17-14-8-10-15(11-9-14)18(2)3/h4-11H,1-3H3
InChIKey
IPIZWPBCCYXHDW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C
Isomeric Smiles
CN(C)c1ccc(cc1)/N=N/c1ccc(C)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.995364
LogD (pH = 7.4)
5.0005383
Log P
5.0006046
Molar Refractivity
79.8468
Polarizability
28.172636
Polar Surface Area
27.96
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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