Molecule

ID:134792

General Information
Structure
Molecular Formula
C₁₉H₁₈N₂O₅
Molecular Mass
356.3434378
Exact Mass
356.11564147
Charge
0
InChI
InChI=1S/C19H18N2O5/c20-17(22)9-16(18(23)24)21-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,20,22)(H,21,25)(H,23,24)/t16-/m0/s1/i20+1,21+1
InChIKey
YUGBZNJSGOBFOV-DXEDVVLISA-N
Canonic Smiles
[15NH2]C(=O)C[C@@H](C(=O)O)[15NH]C(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
c1ccc2c(c1)c1ccccc1C2COC(=O)[15NH][C@@H](CC(=O)[15NH2])C(=O)O
Calculated Properties
JChem
Acid pKa
3.6297421
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.2700957
LogD (pH = 7.4)
-1.7358656
Log P
1.5965626
Molar Refractivity
92.4347
Polarizability
37.05688
Polar Surface Area
118.72
Rotatable Bonds
7
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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