Molecule

ID:45750

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₄
Molecular Mass
263.28908
Exact Mass
263.11575803
Charge
0
InChI
InChI=1S/C14H17NO4/c1-19-12-6-4-10(5-7-12)13(16)15-8-2-3-11(9-15)14(17)18/h4-7,11H,2-3,8-9H2,1H3,(H,17,18)
InChIKey
CUDZBWOULBCVDH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)N1CCCC(C1)C(=O)O
Isomeric Smiles
N1(C(=O)c2ccc(cc2)OC)CC(C(=O)O)CCC1
Calculated Properties
JChem
Acid pKa
3.8221483
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.3382952
LogD (pH = 7.4)
-1.9095211
Log P
1.3425851
Molar Refractivity
69.6209
Polarizability
26.556168
Polar Surface Area
66.84
Rotatable Bonds
3
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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