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Chemical ID: 6918063
Chemical ID:
6918063
Name [?]:
1-methyl-3-phenyl-pyrrolidine-2,5-dione
SMILES [?]:
CN1C(=O)CC(C1=O)c2ccccc2
InChi [?]:
InChI=1/C11H11NO2/c1-12-10(13)7-9(11(12)14)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,5,9,6,3,7,2,4,8/E:(3,4)(5,6)/rA:14cCNCOCCCOCCCCCC/rB:s1;s2;d3;s3;s5;s2s6;d7;s6;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NO2 |
All Atoms: | 25 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.04441 |
Area: | 352.271 |
Solvation: | -2.76236 |
Coulombic: | -24.3626 |
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: | 0.66 |
LogP (Chemaxon): | 0.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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