Molecule
ID:121687
General Information
Molecular Formula
C₁₅H₁₄N₂O₄
Molecular Mass
286.28266
Exact Mass
286.09535694
Charge
0
InChI
InChI=1S/C15H14N2O4/c18-13-12-11(14(19)20)10-4-5-15(12,21-10)8-17(13)7-9-3-1-2-6-16-9/h1-6,10-12H,7-8H2,(H,19,20)/t10-,11?,12?,15-/m1/s1
InChIKey
XSEHIJHACSPQOL-TVRADYJESA-N
Canonic Smiles
OC(=O)C1[C@@H]2C=C[C@@]3(C1C(=O)N(C3)Cc1ccccn1)O2
Isomeric Smiles
C12[C@]3(O[C@H](C2C(=O)O)C=C3)CN(C1=O)Cc1ncccc1
Calculated Properties
JChem
Acid pKa
3.5928223
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.0127685
LogD (pH = 7.4)
-3.5359945
Log P
-1.0386732
Molar Refractivity
71.885
Polarizability
27.90567
Polar Surface Area
79.73
Rotatable Bonds
3
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
No Data Available
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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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