Molecule

ID:59107

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₃
Molecular Mass
249.30556
Exact Mass
249.13649347
Charge
0
InChI
InChI=1S/C14H19NO3/c1-9(2)11-5-3-4-6-12(11)15-8-10(14(17)18)7-13(15)16/h3-6,9-10,13,16H,7-8H2,1-2H3,(H,17,18)
InChIKey
WUHLHTXBWLRYKD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(N(C1)c1ccccc1C(C)C)O
Isomeric Smiles
N1(c2c(C(C)C)cccc2)C(CC(C1)C(=O)O)O
Calculated Properties
JChem
Acid pKa
4.6592207
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.6193978
LogD (pH = 7.4)
-0.15828799
Log P
2.5178227
Molar Refractivity
69.4446
Polarizability
26.532375
Polar Surface Area
60.77
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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