Chemical ID: 6671547

c1ccc(cc1)CCN2C(=O)CCC2=O
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

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Descriptor Annotations

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