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Chemical ID: 7060795
Chemical ID:
7060795
Name [?]:
5-(2-fluorophenyl)-1-(2-furylmethyl)-3-hydroxy-4-(4-pyridylcarbonyl)-5H-pyrrol-2-one
SMILES [?]:
c1ccc(c(c1)C2C(=C(C(=O)N2Cc3ccco3)O)C(=O)c4ccncc4)F
InChi [?]:
InChI=1/C21H15FN2O4/c22-16-6-2-1-5-15(16)18-17(19(25)13-7-9-23-10-8-13)20(26)21(27)24(18)12-14-4-3-11-28-14/h1-11,18,26H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,16,15,6,3,23,27,24,26,17,13,22,14,5,4,8,7,20,9,10,28,25,12,21,19,11,18/E:(7,8)(9,10)/rA:28cCCCCCCCCCCONCCCCCOOCOCCCNCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s7s10;s12;s13;d14;s15;d16;s14s17;s9;s8;d20;s20;s22;d23;s24;d25;d22s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15FN2O4 |
All Atoms: | 43 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.85906 |
Area: | 531.149 |
Solvation: | -7.41966 |
Coulombic: | -55.3864 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.51 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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