Molecule

ID:59700

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉NO₃
Molecular Mass
309.35906
Exact Mass
309.13649347
Charge
0
InChI
InChI=1S/C19H19NO3/c1-12(2)20-17(13-8-4-3-5-9-13)16(19(22)23)14-10-6-7-11-15(14)18(20)21/h3-12,16-17H,1-2H3,(H,22,23)
InChIKey
FWLSZYCFYMQYSO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1C(c2ccccc2)N(C(C)C)C(=O)c2c1cccc2
Isomeric Smiles
N1(C(=O)c2c(C(C1c1ccccc1)C(=O)O)cccc2)C(C)C
Calculated Properties
JChem
Acid pKa
4.171901
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9020764
LogD (pH = 7.4)
0.19501667
Log P
3.247402
Molar Refractivity
87.7755
Polarizability
33.57625
Polar Surface Area
57.61
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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