Molecule
ID:124025
General Information
Molecular Formula
C₁₄H₁₆N₂O₂
Molecular Mass
244.28904
Exact Mass
244.12117776
Charge
0
InChI
InChI=1S/C14H16N2O2/c1-4-18-14(17)11-9-15-12-8-6-5-7-10(12)13(11)16(2)3/h5-9H,4H2,1-3H3
InChIKey
YDUVHEKZYACIHR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc2c(c1N(C)C)cccc2
Isomeric Smiles
c1(c(c2c(nc1)cccc2)N(C)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7099324
LogD (pH = 7.4)
2.5482395
Log P
2.5992293
Molar Refractivity
71.1818
Polarizability
28.033504
Polar Surface Area
42.43
Rotatable Bonds
4
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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