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Chemical ID: 7451254
Chemical ID:
7451254
Name [?]:
4-[(4-chlorophenyl)-hydroxy-methylene]-5-(3-ethoxy-4-hydroxy-phenyl)-1-(2-furylmethyl)pyrrolidine-2,3-dione
SMILES [?]:
CCOc1cc(ccc1O)C2C(=C(c3ccc(cc3)Cl)O)C(=O)C(=O)N2Cc4ccco4
InChi [?]:
InChI=1/C24H20ClNO6/c1-2-31-19-12-15(7-10-18(19)27)21-20(22(28)14-5-8-16(25)9-6-14)23(29)24(30)26(21)13-17-4-3-11-32-17/h3-12,21,27-28H,2,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,30,29,15,19,7,16,18,8,31,5,27,14,6,17,28,9,4,12,11,13,22,24,20,26,10,21,23,25,3,32/E:(5,6)(8,9)/rA:32cCCOCCCCCCOCCCCCCCCCClOCOCONCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s13;s12;d22;s22;d24;s11s24;s26;s27;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20ClNO6 |
All Atoms: | 52 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.37921 |
Area: | 647.086 |
Solvation: | -7.79794 |
Coulombic: | -73.4135 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.52 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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