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Chemical ID: 5185447
Chemical ID:
5185447
Name [?]:
3-(p-tolylmethyl)-1-(4-pyridyl)pyrrolidine-2,5-dione
SMILES [?]:
Cc1ccc(cc1)CC2CC(=O)N(C2=O)c3ccncc3
InChi [?]:
InChI=1/C17H16N2O2/c1-12-2-4-13(5-3-12)10-14-11-16(20)19(17(14)21)15-6-8-18-9-7-15/h2-9,14H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,17,21,18,20,8,10,2,5,9,16,11,14,19,13,12,15/E:(2,3)(4,5)(6,7)(8,9)/rA:21cCCCCCCCCCCCONCOCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s11;s9s13;d14;s13;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.21449 |
Area: | 460.561 |
Solvation: | -3.29955 |
Coulombic: | -28.0503 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 280.321 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.66 |
LogP (Chemaxon): | 2.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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