Molecule

ID:33723

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₂
Molecular Mass
258.31562
Exact Mass
258.13682783
Charge
0
InChI
InChI=1S/C15H18N2O2/c1-10-11(2)16-17(12(10)3)8-14-7-13(9-18)5-6-15(14)19-4/h5-7,9H,8H2,1-4H3
InChIKey
IJQWPVPQWPTDHC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)Cn1nc(c(c1C)C)C)OC
Isomeric Smiles
n1(nc(c(c1C)C)C)Cc1c(ccc(c1)C=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5223012
LogD (pH = 7.4)
2.5247319
Log P
2.5247629
Molar Refractivity
87.4036
Polarizability
28.187553
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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