Molecule
ID:60622
General Information
Molecular Formula
C₁₉H₁₄N₂O₅
Molecular Mass
350.32486
Exact Mass
350.09027156
Charge
0
InChI
InChI=1S/C19H14N2O5/c22-11(9-20-16(23)12-5-1-2-6-13(12)17(20)24)10-21-18(25)14-7-3-4-8-15(14)19(21)26/h1-8,11,22H,9-10H2
InChIKey
PAMYSJPCAPDCNZ-UHFFFAOYSA-N
Canonic Smiles
OC(CN1C(=O)c2c(C1=O)cccc2)CN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
c1ccc2c(c1)C(=O)N(C2=O)CC(CN1C(=O)c2c(C1=O)cccc2)O
Calculated Properties
JChem
Acid pKa
14.436882
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.0323384
LogD (pH = 7.4)
1.0323383
Log P
1.0323384
Molar Refractivity
92.4165
Polarizability
33.764565
Polar Surface Area
94.99
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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