Molecule

ID:13585

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c16-13(15-7-10-2-1-5-19-10)11-8-3-4-9(6-8)12(11)14(17)18/h3-4,8-12H,1-2,5-7H2,(H,15,16)(H,17,18)
InChIKey
QHISLNKQAONDBW-UHFFFAOYSA-N
Canonic Smiles
O=C(C1C2C=CC(C1C(=O)O)C2)NCC1CCCO1
Isomeric Smiles
C1CC(OC1)CNC(=O)C1C2C=CC(C1C(=O)O)C2
Calculated Properties
JChem
Acid pKa
4.3398337
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.9353216
LogD (pH = 7.4)
-2.6816
Log P
0.25204545
Molar Refractivity
68.87
Polarizability
26.566313
Polar Surface Area
75.63
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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