Molecule
ID:120235
General Information
Molecular Formula
C₁₅H₁₁N₃O₄
Molecular Mass
297.26554
Exact Mass
297.07495585
Charge
0
InChI
InChI=1S/C15H11N3O4/c19-13-11-12(17-7-6-16-11)14(20)18(13)10(15(21)22)8-9-4-2-1-3-5-9/h1-7,10H,8H2,(H,21,22)/t10-/m0/s1
InChIKey
GAYVOBFJOVTTDR-JTQLQIEISA-N
Canonic Smiles
OC(=O)[C@@H](N1C(=O)c2c(C1=O)nccn2)Cc1ccccc1
Isomeric Smiles
N1(C(=O)c2c(C1=O)nccn2)[C@H](C(=O)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
2.9249837
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-1.5739049
LogD (pH = 7.4)
-2.5263186
Log P
0.95652884
Molar Refractivity
74.3512
Polarizability
28.0959
Polar Surface Area
100.46
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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