Molecule

ID:77229

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)18-13(17)15-11(9-16)8-10-6-4-5-7-12(10)15/h4-7,11,16H,8-9H2,1-3H3
InChIKey
JNQNQSCDMKNYEX-UHFFFAOYSA-N
Canonic Smiles
OCC1Cc2c(N1C(=O)OC(C)(C)C)cccc2
Isomeric Smiles
N1(c2ccccc2CC1CO)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
15.064851
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1578267
LogD (pH = 7.4)
2.1578267
Log P
2.1578267
Molar Refractivity
68.7382
Polarizability
26.83888
Polar Surface Area
49.77
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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