Chemical ID: 4524971

c1cc(c(c(c1)Cl)Cl)N2C(=O)CCC2=O
Chemical ID:
4524971
Name [?]:
1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)N2C(=O)CCC2=O
InChi [?]:
InChI=1/C10H7Cl2NO2/c11-6-2-1-3-7(10(6)12)13-8(14)4-5-9(13)15/h1-3H,4-5H2
InChi Info:
AuxInfo=1/0/N:1,6,2,12,13,5,3,10,14,4,7,8,9,11,15/E:(4,5)(8,9)(14,15)/rA:15nCCCCCCClClNCOCCCO/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;d10;s10;s12;s9s13;d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7Cl2NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.6021
Area:383.203
Solvation:-2.97798
Coulombic:-23.1936
Bond Count [?]
All:16
Single:11
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:244.074
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.98
LogP (Chemaxon):1.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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