Molecule

ID:17543

General Information
Structure
Molecular Formula
C₁₄H₁₇NO₄
Molecular Mass
263.28908
Exact Mass
263.11575803
Charge
0
InChI
InChI=1S/C14H17NO4/c16-9-11-3-5-12(6-4-11)19-10-14(17)15-8-13-2-1-7-18-13/h3-6,9,13H,1-2,7-8,10H2,(H,15,17)
InChIKey
QJNPEJZMSXAKQD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OCC(=O)NCC1CCCO1
Isomeric Smiles
c1(ccc(cc1)C=O)OCC(=O)NCC1CCCO1
Calculated Properties
JChem
Acid pKa
14.670663
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.8413827
LogD (pH = 7.4)
0.8413827
Log P
0.8413827
Molar Refractivity
70.1634
Polarizability
26.991959
Polar Surface Area
64.63
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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