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Chemical ID: 7024660
Chemical ID:
7024660
Name [?]:
5-(3,4-dichlorophenyl)-1-(2-furylmethyl)-3-hydroxy-4-(4-methylbenzoyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)Cc4ccco4)O
InChi [?]:
InChI=1/C23H17Cl2NO4/c1-13-4-6-14(7-5-13)21(27)19-20(15-8-9-17(24)18(25)11-15)26(23(29)22(19)28)12-16-3-2-10-30-16/h2-11,20,28H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,27,26,3,7,4,6,17,18,28,21,24,2,5,16,25,19,20,10,15,8,11,12,23,22,14,9,30,13,29/E:(4,5)(6,7)/rA:30cCCCCCCCCOCCCONCCCCCCCClClCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s20;s19;s14;s24;d25;s26;d27;s25s28;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H17Cl2NO4 |
All Atoms: | 47 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7983 |
Area: | 648.747 |
Solvation: | -5.42034 |
Coulombic: | -50.7815 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 442.291 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.29 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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