Molecule

ID:59659

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O₅
Molecular Mass
266.24996
Exact Mass
266.09027156
Charge
0
InChI
InChI=1S/C12H14N2O5/c13-10(15)6-9(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17)/t9-/m0/s1
InChIKey
FUCKRCGERFLLHP-VIFPVBQESA-N
Canonic Smiles
O=C(N[C@H](C(=O)O)CC(=O)N)OCc1ccccc1
Isomeric Smiles
C(=O)(N[C@@H](CC(=O)N)C(=O)O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
3.6122403
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.7484039
LogD (pH = 7.4)
-3.2035842
Log P
0.13514502
Molar Refractivity
64.0349
Polarizability
25.12501
Polar Surface Area
118.72
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
References
Bioactivity
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