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Chemical ID: 6335824
Chemical ID:
6335824
Name [?]:
1-[3-[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]phenyl]pyrrolidine-2,5-dione
SMILES [?]:
c1cc(cc(c1)N2C(=O)CCC2=O)C(=O)c3cccc(c3)N4C(=O)CCC4=O
InChi [?]:
InChI=1/C21H16N2O5/c24-17-7-8-18(25)22(17)15-5-1-3-13(11-15)21(28)14-4-2-6-16(12-14)23-19(26)9-10-20(23)27/h1-6,11-12H,7-10H2
InChi Info:
AuxInfo=1/0/N:1,18,2,17,6,19,10,11,25,26,4,21,3,16,5,20,8,12,23,27,14,7,22,9,13,24,28,15/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18,19,20)(22,23)(24,25,26,27)/rA:28nCCCCCCNCOCCCOCOCCCCCCNCOCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s7s11;d12;s3;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;d23;s23;s25;s22s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16N2O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.94202 |
Area: | 580.376 |
Solvation: | -6.56737 |
Coulombic: | -52.6489 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 376.362 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 1.01 |
LogP (Chemaxon): | 0.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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