Molecule

ID:38768

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₅
Molecular Mass
281.30436
Exact Mass
281.12632271
Charge
0
InChI
InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-8-9-19-11-6-4-10(5-7-11)12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
COIQSXDNBXSYMY-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCCOc1ccc(cc1)C(=O)O
Isomeric Smiles
c1cc(ccc1C(=O)O)OCCNC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.360681
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.0002966
LogD (pH = 7.4)
-0.7497262
Log P
2.168271
Molar Refractivity
72.6002
Polarizability
28.183556
Polar Surface Area
84.86
Rotatable Bonds
7
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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