Molecule

ID:58019

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁NO₃
Molecular Mass
275.34284
Exact Mass
275.15214354
Charge
0
InChI
InChI=1S/C16H21NO3/c1-12-3-5-14(6-4-12)16(19)17-9-7-13(8-10-17)11-15(18)20-2/h3-6,13H,7-11H2,1-2H3
InChIKey
JIKJTIWMKSRBRA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC1CCN(CC1)C(=O)c1ccc(cc1)C
Isomeric Smiles
C(=O)(N1CCC(CC(=O)OC)CC1)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1922646
LogD (pH = 7.4)
2.1922657
Log P
2.1922657
Molar Refractivity
77.6971
Polarizability
29.697144
Polar Surface Area
46.61
Rotatable Bonds
4
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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