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Chemical ID: 6509055
Chemical ID:
6509055
Name [?]:
1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
SMILES [?]:
c1cc(c(cc1Cl)Cl)N2C(=O)CCC2=O
InChi [?]:
InChI=1/C10H7Cl2NO2/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(13)15/h1-2,5H,3-4H2
InChi Info:
AuxInfo=1/0/N:1,2,12,13,5,6,4,3,10,14,7,8,9,11,15/E:(3,4)(9,10)(14,15)/rA:15nCCCCCCClClNCOCCCO/rB:s1;d2;s3;d4;d1s5;s6;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: | 6.82588 |
Area: | 391.302 |
Solvation: | -2.95667 |
Coulombic: | -22.9325 |
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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