Chemical ID: 6335824

c1cc(cc(c1)N2C(=O)CCC2=O)C(=O)c3cccc(c3)N4C(=O)CCC4=O
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

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Descriptor Annotations

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