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Chemical ID: 7450472
Chemical ID:
7450472
Name [?]:
1-[2-(2-hydroxyethoxy)ethyl]-4-[hydroxy-(3-nitrophenyl)-methylene]-5-(3-pyridyl)pyrrolidine-2,3-dione
SMILES [?]:
c1cc(cc(c1)N(=O)=O)C(=C2C(N(C(=O)C2=O)CCOCCO)c3cccnc3)O
InChi [?]:
InChI=1/C20H19N3O7/c24-8-10-30-9-7-22-17(14-4-2-6-21-12-14)16(19(26)20(22)27)18(25)13-3-1-5-15(11-13)23(28)29/h1-6,11-12,17,24-25H,7-10H2
InChi Info:
AuxInfo=1/0/N:1,26,2,25,6,27,18,22,19,21,4,29,3,24,5,11,12,10,16,14,28,13,7,23,30,17,15,8,9,20/E:(28,29)/CRV:23.5/rA:30cCCCCCCNOOCCCNCOCOCCOCCOCCCCNCO/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s3;w10;s11;s12;s13;d14;s11s14;d16;s13;s18;s19;s20;s21;s22;s12;s24;d25;s26;d27;d24s28;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N3O7 |
All Atoms: | 49 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 1.47827 |
Area: | 587.82 |
Solvation: | -13.2172 |
Coulombic: | -81.245 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.3 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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