Molecule

ID:74563

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₄
Molecular Mass
252.31434
Exact Mass
252.13749653
Charge
0
InChI
InChI=1S/C15H16N4/c1-11(2)7-12-3-5-13(6-4-12)10-19-15(9-17)14(18)8-16/h3-6,10-11H,7,18H2,1-2H3
InChIKey
ADVNRHLLJHJHMK-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)/C=N/C(=C(/C#N)\N)/C#N)C
Isomeric Smiles
N(=C\c1ccc(cc1)CC(C)C)/C(=C(/C#N)\N)/C#N
Calculated Properties
JChem
Acid pKa
19.562807
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.3334744
LogD (pH = 7.4)
2.3337584
Log P
2.333762
Molar Refractivity
78.2842
Polarizability
28.118874
Polar Surface Area
85.96
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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