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Chemical ID: 7060790
Chemical ID:
7060790
Name [?]:
5-(2-fluorophenyl)-3-hydroxy-1-(3-methoxypropyl)-4-(4-pyridylcarbonyl)-5H-pyrrol-2-one
SMILES [?]:
COCCCN1C(C(=C(C1=O)O)C(=O)c2ccncc2)c3ccccc3F
InChi [?]:
InChI=1/C20H19FN2O4/c1-27-12-4-11-23-17(14-5-2-3-6-15(14)21)16(19(25)20(23)26)18(24)13-7-9-22-10-8-13/h2-3,5-10,17,25H,4,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,24,4,22,25,16,20,17,19,5,3,15,21,26,8,7,13,9,10,27,18,6,14,12,11,2/E:(7,8)(9,10)/rA:27cCOCCCNCCCCOOCOCCCNCCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s6s9;d10;s9;s8;d13;s13;s15;d16;s17;d18;d15s19;s7;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19FN2O4 |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.08538 |
Area: | 575.504 |
Solvation: | -6.30223 |
Coulombic: | -58.2591 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.28 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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