Molecule

ID:31457

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₃
Molecular Mass
274.31502
Exact Mass
274.13174245
Charge
0
InChI
InChI=1S/C15H18N2O3/c18-15(19)11-17-10-12(9-16-5-7-20-8-6-16)13-3-1-2-4-14(13)17/h1-4,10H,5-9,11H2,(H,18,19)
InChIKey
XXINQVXDNYTUBA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1cc(c2c1cccc2)CN1CCOCC1
Isomeric Smiles
n1(cc(c2c1cccc2)CN1CCOCC1)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.06373
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.1394706
LogD (pH = 7.4)
-1.400599
Log P
-1.1421076
Molar Refractivity
75.743
Polarizability
30.413635
Polar Surface Area
54.7
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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