Molecule

ID:58359

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₂
Molecular Mass
245.31686
Exact Mass
245.14157885
Charge
0
InChI
InChI=1S/C15H19NO2/c1-15(2)9-12(8-13(17)10-15)16-11-4-6-14(18-3)7-5-11/h4-8,16H,9-10H2,1-3H3
InChIKey
NRCVKUDLIIDNJU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC1=CC(=O)CC(C1)(C)C
Isomeric Smiles
C1C(CC(=CC1=O)Nc1ccc(cc1)OC)(C)C
Calculated Properties
JChem
Acid pKa
18.40986
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5229332
LogD (pH = 7.4)
2.52296
Log P
2.5229602
Molar Refractivity
74.8644
Polarizability
27.817251
Polar Surface Area
38.33
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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