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Chemical ID: 6430312
Chemical ID:
6430312
Name [?]:
1-(m-tolyl)pyrrolidine-2,5-dione
SMILES [?]:
Cc1cccc(c1)N2C(=O)CCC2=O
InChi [?]:
InChI=1/C11H11NO2/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(12)14/h2-4,7H,5-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,5,11,12,7,2,6,9,13,8,10,14/E:(5,6)(10,11)(13,14)/rA:14nCCCCCCCNCOCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s8s12;d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.78354 |
Area: | 353.83 |
Solvation: | -3.06221 |
Coulombic: | -22.5112 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 189.211 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.17 |
LogP (Chemaxon): | 1.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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