Molecule

ID:11656

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₂
Molecular Mass
244.28904
Exact Mass
244.12117776
Charge
0
InChI
InChI=1S/C14H16N2O2/c1-10-6-11(2)16(15-10)8-13-7-12(9-17)4-5-14(13)18-3/h4-7,9H,8H2,1-3H3
InChIKey
XEUFDSHRBLJIJK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1Cn1nc(cc1C)C)C=O
Isomeric Smiles
n1(nc(cc1C)C)Cc1c(ccc(c1)C=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0085793
LogD (pH = 7.4)
2.0113068
Log P
2.0113416
Molar Refractivity
82.3624
Polarizability
26.424492
Polar Surface Area
44.12
Rotatable Bonds
4
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
No Data Available
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Molecule Details
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References
Bioactivity
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