Molecule

ID:134124

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₅
Molecular Mass
290.27136
Exact Mass
290.09027156
Charge
0
InChI
InChI=1S/C14H14N2O5/c1-7-4-13(18)21-11-5-8(2-3-9(7)11)16-12(17)6-10(15)14(19)20/h2-5,10H,6,15H2,1H3,(H,16,17)(H,19,20)/t10-/m0/s1
InChIKey
ARZPQBJTLVVDNP-JTQLQIEISA-N
Canonic Smiles
O=C(C[C@@H](C(=O)O)N)Nc1ccc2c(c1)oc(=O)cc2C
Isomeric Smiles
Cc1cc(=O)oc2c1ccc(c2)NC(=O)C[C@@H](C(=O)O)N
Calculated Properties
JChem
Acid pKa
1.4732951
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.9389931
LogD (pH = 7.4)
-1.9748203
Log P
-1.9387387
Molar Refractivity
74.5826
Polarizability
28.221514
Polar Surface Area
118.72
Rotatable Bonds
4
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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