Molecule

ID:73885

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₂
Molecular Mass
257.32756
Exact Mass
257.14157885
Charge
0
InChI
InChI=1S/C16H19NO2/c1-11-13(15(18)19)10-14(16(2,3)4)17(11)12-8-6-5-7-9-12/h5-10H,1-4H3,(H,18,19)
InChIKey
NHLBUGVWPXSFTL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(n(c1C)c1ccccc1)C(C)(C)C
Isomeric Smiles
n1(c2ccccc2)c(c(cc1C(C)(C)C)C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.3829405
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3749309
LogD (pH = 7.4)
-0.03271738
Log P
3.4836
Molar Refractivity
86.7597
Polarizability
29.696392
Polar Surface Area
42.23
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
No Data Available
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Molecule Details
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References
Bioactivity
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