Molecule

ID:57351

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₃
Molecular Mass
249.30556
Exact Mass
249.13649347
Charge
0
InChI
InChI=1S/C14H19NO3/c1-14(2,3)10-6-4-5-7-11(10)15-12(16)8-9-13(17)18/h4-7H,8-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKey
OHADMZXCKCKARP-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccccc1C(C)(C)C)CCC(=O)O
Isomeric Smiles
C(=O)(CCC(=O)O)Nc1c(cccc1)C(C)(C)C
Calculated Properties
JChem
Acid pKa
4.5751023
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.608273
LogD (pH = 7.4)
-0.16641892
Log P
2.5808752
Molar Refractivity
70.4802
Polarizability
26.69568
Polar Surface Area
66.4
Rotatable Bonds
5
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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