Chemical ID: 5703877

c1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCO)c3ccc(cc3)N(=O)=O)O
Chemical ID:
5703877
Name [?]:
4-(hydroxy-phenyl-methylene)-1-(3-hydroxypropyl)-5-(4-nitrophenyl)-pyrrolidine-2,3-dione
SMILES [?]:
c1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCCO)c3ccc(cc3)N(=O)=O)O
InChi [?]:
InChI=1/C20H18N2O6/c23-12-4-11-21-17(13-7-9-15(10-8-13)22(27)28)16(19(25)20(21)26)18(24)14-5-2-1-3-6-14/h1-3,5-10,17,23-24H,4,11-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,16,3,5,20,24,21,23,15,17,19,4,22,8,9,7,13,11,10,25,18,28,14,12,26,27/E:(2,3)(5,6)(7,8)(9,10)(27,28)/CRV:22.5/rA:28cCCCCCCCCCNCOCOCCCOCCCCCCNOOO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;s10;d11;s8s11;d13;s10;s15;s16;s17;s9;s19;d20;s21;d22;d19s23;s22;d25;d25;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:3.5279
Area:560.992
Solvation:-10.4969
Coulombic:-72.4822
Bond Count [?]
All:30
Single:19
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:382.367
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.1
LogP (Chemaxon):1.33

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Descriptor Annotations

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