Molecule

ID:11648

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₂
Molecular Mass
244.28904
Exact Mass
244.12117776
Charge
0
InChI
InChI=1S/C14H16N2O2/c1-17-13-8-10(15)4-5-11(13)9-3-6-12(16)14(7-9)18-2/h3-8H,15-16H2,1-2H3
InChIKey
PLFGCBZJCDMIGZ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)ccc1c1ccc(c(c1)OC)N
Isomeric Smiles
c1(c2cc(c(cc2)N)OC)c(cc(cc1)N)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.6166486
LogD (pH = 7.4)
1.64688
Log P
1.6472768
Molar Refractivity
73.5214
Polarizability
28.606993
Polar Surface Area
70.5
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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