Molecule

ID:16774

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₂
Molecular Mass
244.28904
Exact Mass
244.12117776
Charge
0
InChI
InChI=1S/C14H16N2O2/c1-3-14-15-6-7-16(14)9-12-8-11(10-17)4-5-13(12)18-2/h4-8,10H,3,9H2,1-2H3
InChIKey
AODKAVPABUIILS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1Cn1ccnc1CC)C=O
Isomeric Smiles
n1(c(ncc1)CC)Cc1c(ccc(c1)C=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1932024
LogD (pH = 7.4)
1.9958972
Log P
2.1813567
Molar Refractivity
70.6369
Polarizability
26.512274
Polar Surface Area
44.12
Rotatable Bonds
5
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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