Molecule

ID:69593

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
C(=O)([C@H](NC(=O)OC(C)(C)C)Cc1ccccc1)O
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
27.498814
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation