Molecule

ID:61745

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₄
Molecular Mass
289.32636
Exact Mass
289.13140809
Charge
0
InChI
InChI=1S/C16H19NO4/c1-10-7-17(8-11(2)20-10)9-12-5-16(19)21-15-6-13(18)3-4-14(12)15/h3-6,10-11,18H,7-9H2,1-2H3/t10-,11+
InChIKey
WEQLMQPMEKVDJT-PHIMTYICSA-N
Canonic Smiles
C[C@@H]1CN(C[C@@H](O1)C)Cc1cc(=O)oc2c1ccc(c2)O
Isomeric Smiles
c1(c2c(oc(=O)c1)cc(cc2)O)CN1C[C@@H](O[C@@H](C1)C)C
Calculated Properties
JChem
Acid pKa
7.772065
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.8358751
LogD (pH = 7.4)
1.6125686
Log P
1.6415411
Molar Refractivity
79.2251
Polarizability
30.689812
Polar Surface Area
59.0
Rotatable Bonds
2
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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