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Chemical ID: 4885750
Chemical ID:
4885750
Name [?]:
4-(4-ethoxybenzoyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(3-hydroxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)O)CCOCCO)O
InChi [?]:
InChI=1/C23H25NO7/c1-2-31-18-8-6-15(7-9-18)21(27)19-20(16-4-3-5-17(26)14-16)24(23(29)22(19)28)10-12-30-13-11-25/h3-9,14,20,25-26,28H,2,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,19,21,6,8,5,9,25,29,26,28,23,7,18,22,4,12,17,10,13,14,16,30,24,11,31,15,27,3/E:(6,7)(8,9)/rA:31cCCOCCCCCCCOCCCONCCCCCCCOCCOCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s16;s25;s26;s27;s28;s29;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H25NO7 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.03325 |
Area: | 654.094 |
Solvation: | -8.31911 |
Coulombic: | -90.1585 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 427.447 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | 2.23 |
LogP (Chemaxon): | 1.42 |
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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