Molecule

ID:39324

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)15-11(9-12(16)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKey
JTNQFJPZRTURSI-LLVKDONJSA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@@H](c1ccccc1)CC(=O)O
Isomeric Smiles
c1(ccccc1)[C@@H](CC(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.4884467
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3152822
LogD (pH = 7.4)
-0.4524257
Log P
2.3658748
Molar Refractivity
69.8586
Polarizability
27.496412
Polar Surface Area
75.63
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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