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Chemical ID: 4923394
Chemical ID:
4923394
Name [?]:
2-(2-furyl)-2-hydroxy-1-(3-hydroxyquinoxalin-2-yl)-ethanone
SMILES [?]:
c1ccc2c(c1)nc(c(n2)O)C(=O)C(c3ccco3)O
InChi [?]:
InChI=1/C14H10N2O4/c17-12(10-6-3-7-20-10)13(18)11-14(19)16-9-5-2-1-4-8(9)15-11/h1-7,12,17H,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,17,6,3,16,18,5,4,15,8,14,12,9,7,10,20,13,11,19/rA:20cCCCCCCNCCNOCOCCCCCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s8;d12;s12;s14;d15;s16;d17;s15s18;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10N2O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.01344 |
Area: | 434.492 |
Solvation: | -4.84886 |
Coulombic: | -61.0835 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 270.24 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.36 |
LogP (Chemaxon): | 2.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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