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Chemical ID: 4810844
Chemical ID:
4810844
Name [?]:
4-(2-furylcarbonyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-(3-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(no1)N2C(C(=C(C2=O)O)C(=O)c3ccco3)c4cccnc4
InChi [?]:
InChI=1/C18H13N3O5/c1-10-8-13(20-26-10)21-15(11-4-2-6-19-9-11)14(17(23)18(21)24)16(22)12-5-3-7-25-12/h2-9,15,23H,1H3
InChi Info:
AuxInfo=1/0/N:1,23,18,22,17,24,19,3,26,2,21,16,4,9,8,14,10,11,25,5,7,15,13,12,20,6/rA:26cCCCCNONCCCCOOCOCCCCOCCCCNC/rB:s1;d2;s3;d4;s2s5;s4;s7;s8;d9;s7s10;d11;s10;s9;d14;s14;d16;s17;d18;s16s19;s8;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13N3O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.27447 |
Area: | 537.201 |
Solvation: | -5.15555 |
Coulombic: | -57.1704 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 351.313 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.5 |
LogP (Chemaxon): | -0.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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