Molecule

ID:19529

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O
Molecular Mass
228.28964
Exact Mass
228.12626314
Charge
0
InChI
InChI=1S/C14H16N2O/c1-16(2)11-6-5-7-12(10-11)17-14-9-4-3-8-13(14)15/h3-10H,15H2,1-2H3
InChIKey
CRXIVPYCNMPOFN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1Oc1cccc(c1)N(C)C
Isomeric Smiles
c1c(N(C)C)cccc1Oc1c(N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7436588
LogD (pH = 7.4)
2.752537
Log P
2.752651
Molar Refractivity
71.4278
Polarizability
26.637148
Polar Surface Area
38.49
Rotatable Bonds
3
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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