Molecule

ID:25513

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₉NO₂
Molecular Mass
305.37036
Exact Mass
305.14157885
Charge
0
InChI
InChI=1S/C20H19NO2/c1-11-5-7-15(8-6-11)19-14(4)17(20(22)23)16-10-12(2)9-13(3)18(16)21-19/h5-10H,1-4H3,(H,22,23)
InChIKey
MGHAUKLOIDHDFW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1nc2c(C)cc(cc2c(c1C)C(=O)O)C
Isomeric Smiles
n1c(c(c(c2c1c(cc(c2)C)C)C(=O)O)C)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
3.4586787
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.7923057
LogD (pH = 7.4)
2.4736738
Log P
5.672743
Molar Refractivity
92.1645
Polarizability
37.37637
Polar Surface Area
50.19
Rotatable Bonds
2
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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