Molecule
ID:123220
General Information
Molecular Formula
C₁₄H₁₆N₂O₂
Molecular Mass
244.28904
Exact Mass
244.12117776
Charge
0
InChI
InChI=1S/C14H16N2O2/c1-8(2)18-14(17)10-4-5-13-11(7-10)12(15)6-9(3)16-13/h4-8H,1-3H3,(H2,15,16)
InChIKey
XJBXMQJETOGQHQ-UHFFFAOYSA-N
Canonic Smiles
CC(OC(=O)c1ccc2c(c1)c(N)cc(n2)C)C
Isomeric Smiles
c12c(nc(cc2N)C)ccc(C(=O)OC(C)C)c1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.42780763
LogD (pH = 7.4)
1.1365141
Log P
2.2102046
Molar Refractivity
70.4639
Polarizability
27.949387
Polar Surface Area
65.21
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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