Molecule

ID:35518

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₂
Molecular Mass
244.28904
Exact Mass
244.12117776
Charge
0
InChI
InChI=1S/C14H16N2O2/c1-3-18-14(17)13-15-7-8-16(13)10-12-6-4-5-11(2)9-12/h4-9H,3,10H2,1-2H3
InChIKey
LDUIAKMLJOYDHI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nccn1Cc1cccc(c1)C
Isomeric Smiles
n1(c(ncc1)C(=O)OCC)Cc1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8524127
LogD (pH = 7.4)
2.8541539
Log P
2.8541763
Molar Refractivity
69.8144
Polarizability
26.536234
Polar Surface Area
44.12
Rotatable Bonds
5
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
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Molecule Details
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References
Bioactivity
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