Molecule

ID:80759

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₄
Molecular Mass
263.28908
Exact Mass
263.11575803
Charge
0
InChI
InChI=1S/C14H17NO4/c16-13(17)12-7-4-8-15(9-12)14(18)19-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,17)
InChIKey
FFLPIVZNYJKKDM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)C(=O)OCc1ccccc1
Isomeric Smiles
N1(C(=O)OCc2ccccc2)CC(C(=O)O)CCC1
Calculated Properties
JChem
Acid pKa
4.138861
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6131368
LogD (pH = 7.4)
-1.0842632
Log P
1.9898461
Molar Refractivity
68.7234
Polarizability
26.778088
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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