Molecule

ID:136669

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(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKey
ZYJPUMXJBDHSIF-LLVKDONJSA-N
Canonic Smiles
OC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Isomeric Smiles
c1ccc(cc1)C[C@H](C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.0592823
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.1170568
LogD (pH = 7.4)
-0.5543741
Log P
2.5697124
Molar Refractivity
69.9893
Polarizability
27.520054
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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