Molecule

ID:124011

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₄
Molecular Mass
252.31434
Exact Mass
252.13749653
Charge
0
InChI
InChI=1S/C15H16N4/c1-10(2)11-3-6-13(7-4-11)19-17-14-8-5-12(16)9-15(14)18-19/h3-10H,16H2,1-2H3
InChIKey
ASQLLSICFDWTQD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nn(n2)c1ccc(cc1)C(C)C
Isomeric Smiles
n1(nc2c(n1)ccc(c2)N)c1ccc(cc1)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4135995
LogD (pH = 7.4)
3.4141924
Log P
3.4142
Molar Refractivity
88.265
Polarizability
30.68052
Polar Surface Area
56.73
Rotatable Bonds
2
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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