Molecule

ID:10826

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₄
Molecular Mass
277.31566
Exact Mass
277.13140809
Charge
0
InChI
InChI=1S/C15H19NO4/c1-20-11-6-4-5-10(9-11)16-14(17)12-7-2-3-8-13(12)15(18)19/h4-6,9,12-13H,2-3,7-8H2,1H3,(H,16,17)(H,18,19)
InChIKey
OJWGTYNLVIETLZ-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)NC(=O)C1CCCCC1C(=O)O
Isomeric Smiles
C(=O)(C1C(C(=O)O)CCCC1)Nc1cc(OC)ccc1
Calculated Properties
JChem
Acid pKa
3.986052
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.8666541
LogD (pH = 7.4)
-0.7774841
Log P
2.3895316
Molar Refractivity
74.8263
Polarizability
28.588213
Polar Surface Area
75.63
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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