Molecule

ID:60671

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₉N₃O
Molecular Mass
317.38436
Exact Mass
317.15281224
Charge
0
InChI
InChI=1S/C20H19N3O/c1-5-13-9-20(4,6-2)23-18-15(13)7-12(3)8-16(18)17(19(23)24)14(10-21)11-22/h7-9H,5-6H2,1-4H3
InChIKey
AEROOYRXTPKXPF-UHFFFAOYSA-N
Canonic Smiles
N#CC(=C1C(=O)N2c3c1cc(C)cc3C(=CC2(C)CC)CC)C#N
Isomeric Smiles
N12C(=O)C(=C(C#N)C#N)c3c1c(C(=CC2(CC)C)CC)cc(c3)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8269713
LogD (pH = 7.4)
3.8269715
Log P
3.8269715
Molar Refractivity
94.8056
Polarizability
35.105515
Polar Surface Area
67.89
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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