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Chemical ID: 6671547
Chemical ID:
6671547
Name [?]:
1-phenethylpyrrolidine-2,5-dione
SMILES [?]:
c1ccc(cc1)CCN2C(=O)CCC2=O
InChi [?]:
InChI=1/C12H13NO2/c14-11-6-7-12(15)13(11)9-8-10-4-2-1-3-5-10/h1-5H,6-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,13,7,8,4,10,14,9,11,15/E:(2,3)(4,5)(6,7)(11,12)(14,15)/rA:15nCCCCCCCCNCOCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s9s13;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.78481 |
Area: | 386.292 |
Solvation: | -2.8725 |
Coulombic: | -24.0243 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 203.237 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.04 |
LogP (Chemaxon): | 1.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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