Molecule

ID:103046

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₀N₂
Molecular Mass
360.4504
Exact Mass
360.16264865
Charge
0
InChI
InChI=1S/C26H20N2/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h3-16H,1-2H3
InChIKey
STTGYIUESPWXOW-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(c2ccccc2)c2c(n1)c1nc(C)cc(c1cc2)c1ccccc1
Isomeric Smiles
Cc1nc2c3nc(C)cc(c4ccccc4)c3ccc2c(c1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.550333
LogD (pH = 7.4)
5.8403707
Log P
5.845746
Molar Refractivity
113.356
Polarizability
49.574047
Polar Surface Area
25.78
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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