Molecule

ID:23519

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₃
Molecular Mass
286.32572
Exact Mass
286.13174245
Charge
0
InChI
InChI=1S/C16H18N2O3/c1-20-10-11-21-15-5-3-2-4-14(15)16(19)18-13-8-6-12(17)7-9-13/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKey
CVOKIEZBIUOTNX-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccccc1C(=O)Nc1ccc(cc1)N
Isomeric Smiles
C(=O)(c1c(OCCOC)cccc1)Nc1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
12.24432
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.0238013
LogD (pH = 7.4)
2.0314534
Log P
2.0315578
Molar Refractivity
83.7986
Polarizability
30.969875
Polar Surface Area
73.58
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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