Molecule

ID:108092

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₀N₂
Molecular Mass
312.4076
Exact Mass
312.16264865
Charge
0
InChI
InChI=1S/C22H20N2/c1-13-11-19(15-7-3-5-9-17(15)21(13)23)20-12-14(2)22(24)18-10-6-4-8-16(18)20/h3-12H,23-24H2,1-2H3
InChIKey
FTEGMIZQLGXBNA-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(c2c(c1N)cccc2)c1cc(C)c(c2c1cccc2)N
Isomeric Smiles
Cc1c(N)c2ccccc2c(c1)c1cc(C)c(N)c2ccccc12
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.9504824
LogD (pH = 7.4)
4.9681864
Log P
4.9684157
Molar Refractivity
103.5778
Polarizability
42.503063
Polar Surface Area
52.04
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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