Molecule
ID:21366
General Information
Molecular Formula
C₁₆H₂₃NO₄
Molecular Mass
293.35812
Exact Mass
293.16270822
Charge
0
InChI
InChI=1S/C16H23NO4/c1-4-5-11-6-7-14(15(8-11)19-2)21-12-9-13(17-10-12)16(18)20-3/h6-8,12-13,17H,4-5,9-10H2,1-3H3/t12?,13-/m0/s1
InChIKey
MVRRUBICVCEZIX-ABLWVSNPSA-N
Canonic Smiles
CCCc1ccc(c(c1)OC)OC1CN[C@@H](C1)C(=O)OC
Isomeric Smiles
N1[C@H](C(=O)OC)CC(Oc2c(cc(cc2)CCC)OC)C1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4289824
LogD (pH = 7.4)
2.4271004
Log P
2.4800942
Molar Refractivity
79.1176
Polarizability
31.589258
Polar Surface Area
56.79
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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