Molecule

ID:36259

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₃
Molecular Mass
315.4067
Exact Mass
315.18344367
Charge
0
InChI
InChI=1S/C19H25NO3/c1-19(2)15(16(19)18(22)23)17(21)20-10-8-14(9-11-20)12-13-6-4-3-5-7-13/h3-7,14-16H,8-12H2,1-2H3,(H,22,23)
InChIKey
FHXXQBAKIWMBRW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1C(C1(C)C)C(=O)N1CCC(CC1)Cc1ccccc1
Isomeric Smiles
C1(C(C1C(=O)O)C(=O)N1CCC(Cc2ccccc2)CC1)(C)C
Calculated Properties
JChem
Acid pKa
4.493441
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6763642
LogD (pH = 7.4)
-0.09185359
Log P
2.7224286
Molar Refractivity
88.3087
Polarizability
34.455162
Polar Surface Area
57.61
Rotatable Bonds
4
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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