Molecule

ID:25501

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₉NO₂
Molecular Mass
305.37036
Exact Mass
305.14157885
Charge
0
InChI
InChI=1S/C20H19NO2/c1-4-14-6-8-15(9-7-14)19-13(3)18(20(22)23)16-11-12(2)5-10-17(16)21-19/h5-11H,4H2,1-3H3,(H,22,23)
InChIKey
CCLFONLNYXABDP-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)c1nc2ccc(cc2c(c1C)C(=O)O)C
Isomeric Smiles
n1c(c(c(c2c1ccc(c2)C)C(=O)O)C)c1ccc(cc1)CC
Calculated Properties
JChem
Acid pKa
3.443548
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.7077367
LogD (pH = 7.4)
2.4006853
Log P
5.599271
Molar Refractivity
91.7243
Polarizability
37.458
Polar Surface Area
50.19
Rotatable Bonds
3
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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