Molecule

ID:40553

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO₂
Molecular Mass
267.32238
Exact Mass
267.12592879
Charge
0
InChI
InChI=1S/C17H17NO2/c19-16-8-4-12(5-9-16)10-17(20)18-15-7-6-13-2-1-3-14(13)11-15/h4-9,11,19H,1-3,10H2,(H,18,20)
InChIKey
QTOMIDYVTFNRAN-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc2c(c1)CCC2)Cc1ccc(cc1)O
Isomeric Smiles
C(=O)(Nc1cc2c(cc1)CCC2)Cc1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
9.497329
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.7493727
LogD (pH = 7.4)
3.745979
Log P
3.749416
Molar Refractivity
80.505
Polarizability
30.04531
Polar Surface Area
49.33
Rotatable Bonds
3
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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