Molecule

ID:11279

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₄
Molecular Mass
237.2518
Exact Mass
237.10010797
Charge
0
InChI
InChI=1S/C12H15NO4/c1-17-10-6-3-2-5-9(10)13-11(14)7-4-8-12(15)16/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)(H,15,16)
InChIKey
NAXHDZDREUYJPN-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1NC(=O)CCCC(=O)O
Isomeric Smiles
N(c1ccccc1OC)C(=O)CCCC(=O)O
Calculated Properties
JChem
Acid pKa
3.855048
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.32633314
LogD (pH = 7.4)
-1.9135216
Log P
1.3227164
Molar Refractivity
62.8785
Polarizability
23.809307
Polar Surface Area
75.63
Rotatable Bonds
6
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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