Molecule

ID:12490

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆N₄
Molecular Mass
264.32504
Exact Mass
264.13749653
Charge
0
InChI
InChI=1S/C16H16N4/c1-11-2-8-14(9-3-11)20-16(18)10-15(19-20)12-4-6-13(17)7-5-12/h2-10H,17-18H2,1H3
InChIKey
MFTHPFSYPRDVIT-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)n1nc(cc1N)c1ccc(cc1)N
Isomeric Smiles
c1(cc(n(n1)c1ccc(cc1)C)N)c1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.031252
LogD (pH = 7.4)
3.0369277
Log P
3.0370004
Molar Refractivity
82.8792
Polarizability
32.482517
Polar Surface Area
69.86
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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