Molecule

ID:21305

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₃
Molecular Mass
261.31626
Exact Mass
261.13649347
Charge
0
InChI
InChI=1S/C15H19NO3/c1-3-6-11-7-4-5-8-14(11)19-12-9-13(16-10-12)15(17)18-2/h3-5,7-8,12-13,16H,1,6,9-10H2,2H3/t12?,13-/m0/s1
InChIKey
MGYPDUYJDMWRCB-ABLWVSNPSA-N
Canonic Smiles
C=CCc1ccccc1OC1CN[C@@H](C1)C(=O)OC
Isomeric Smiles
N1[C@H](C(=O)OC)CC(Oc2c(CC=C)cccc2)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2689334
LogD (pH = 7.4)
2.2790177
Log P
2.3337774
Molar Refractivity
72.6985
Polarizability
28.895603
Polar Surface Area
47.56
Rotatable Bonds
6
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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