Molecule

ID:25293

General Information
Structure
Molecular Formula
C₂₀H₁₉NO₂
Molecular Mass
305.37036
Exact Mass
305.14157885
Charge
0
InChI
InChI=1S/C20H19NO2/c1-13(2)11-14-7-9-15(10-8-14)19-12-17(20(22)23)16-5-3-4-6-18(16)21-19/h3-10,12-13H,11H2,1-2H3,(H,22,23)
InChIKey
QIIGIVFDELUNTD-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)O)C
Isomeric Smiles
c1(cc(nc2c1cccc2)c1ccc(cc1)CC(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.573165
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5785084
LogD (pH = 7.4)
2.155039
Log P
5.511137
Molar Refractivity
90.7915
Polarizability
37.6249
Polar Surface Area
50.19
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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