Molecule

ID:30309

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₄
Molecular Mass
263.28908
Exact Mass
263.11575803
Charge
0
InChI
InChI=1S/C14H17NO4/c16-13(15-7-2-1-3-8-15)10-19-12-6-4-5-11(9-12)14(17)18/h4-6,9H,1-3,7-8,10H2,(H,17,18)
InChIKey
LUDSGMHLAWWTNX-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCC1)COc1cccc(c1)C(=O)O
Isomeric Smiles
N1(C(=O)COc2cc(C(=O)O)ccc2)CCCCC1
Calculated Properties
JChem
Acid pKa
3.836214
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.22531058
LogD (pH = 7.4)
-1.80346
Log P
1.4419165
Molar Refractivity
69.6196
Polarizability
26.738857
Polar Surface Area
66.84
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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