Molecule

ID:59917

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₃
Molecular Mass
261.31626
Exact Mass
261.13649347
Charge
0
InChI
InChI=1S/C15H19NO3/c1-11(17)16-8-6-15(7-9-16)5-4-12-2-3-13(18)10-14(12)19-15/h2-3,10,18H,4-9H2,1H3
InChIKey
QAJLHPPOYDXRMQ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)OC1(CC2)CCN(CC1)C(=O)C
Isomeric Smiles
N1(C(=O)C)CCC2(Oc3cc(ccc3CC2)O)CC1
Calculated Properties
JChem
Acid pKa
9.828415
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1739146
LogD (pH = 7.4)
1.1723285
Log P
1.1739355
Molar Refractivity
72.0246
Polarizability
27.863989
Polar Surface Area
49.77
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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