Molecule
ID:25287
General Information
Molecular Formula
C₂₀H₁₉NO₂
Molecular Mass
305.37036
Exact Mass
305.14157885
Charge
0
InChI
InChI=1S/C20H19NO2/c1-12(2)14-8-10-15(11-9-14)19-13(3)18(20(22)23)16-6-4-5-7-17(16)21-19/h4-12H,1-3H3,(H,22,23)
InChIKey
QCYDLUSRDGFADT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(C)c(nc2c1cccc2)c1ccc(cc1)C(C)C
Isomeric Smiles
n1c(c(c(c2c1cccc2)C(=O)O)C)c1ccc(cc1)C(C)C
Calculated Properties
JChem
Acid pKa
3.418636
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.469046
LogD (pH = 7.4)
2.1711013
Log P
5.382624
Molar Refractivity
91.2317
Polarizability
37.541084
Polar Surface Area
50.19
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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