Molecule

ID:58018

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₃
Molecular Mass
261.31626
Exact Mass
261.13649347
Charge
0
InChI
InChI=1S/C15H19NO3/c1-19-14(17)11-12-7-9-16(10-8-12)15(18)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKey
INVKVXFSRYWEAM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC1CCN(CC1)C(=O)c1ccccc1
Isomeric Smiles
C(=O)(N1CCC(CC(=O)OC)CC1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6788434
LogD (pH = 7.4)
1.6788445
Log P
1.6788445
Molar Refractivity
72.6559
Polarizability
27.934977
Polar Surface Area
46.61
Rotatable Bonds
4
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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