Molecule

ID:39525

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15(4)11(12(16)17)10-8-6-5-7-9-10/h5-9,11H,1-4H3,(H,16,17)/t11-/m0/s1
InChIKey
COABPHLHHQAKPL-NSHDSACASA-N
Canonic Smiles
O=C(N([C@@H](c1ccccc1)C(=O)O)C)OC(C)(C)C
Isomeric Smiles
c1(ccccc1)[C@H](N(C)C(=O)OC(C)(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.951979
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.94909006
LogD (pH = 7.4)
-0.6812353
Log P
2.5047274
Molar Refractivity
70.131
Polarizability
27.495066
Polar Surface Area
66.84
Rotatable Bonds
5
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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