Molecule

ID:21845

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₀N₂
Molecular Mass
348.4397
Exact Mass
348.16264865
Charge
0
InChI
InChI=1S/C25H20N2/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-16H,26-27H2
InChIKey
KIFDSGGWDIVQGN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C1(c2ccc(cc2)N)c2ccccc2c2c1cccc2
Isomeric Smiles
C1(c2c(c3c1cccc3)cccc2)(c1ccc(N)cc1)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.9008436
LogD (pH = 7.4)
4.935389
Log P
4.9358416
Molar Refractivity
113.4879
Polarizability
43.96815
Polar Surface Area
52.04
Rotatable Bonds
2
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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