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Chemical ID: 4292333
Chemical ID:
4292333
Name [?]:
4-(p-tolylamino)-1,5-dihydropyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)NC2=CC(=O)NC2
InChi [?]:
InChI=1/C11H12N2O/c1-8-2-4-9(5-3-8)13-10-6-11(14)12-7-10/h2-6,13H,7H2,1H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,10,14,2,5,9,11,13,8,12/E:(2,3)(4,5)/rA:14nCCCCCCCNCCCONC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s11;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.13176 |
Area: | 363.386 |
Solvation: | -1.9529 |
Coulombic: | -32.6204 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 188.226 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.42 |
LogP (Chemaxon): | 0.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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