Chemical ID: 5871037

c1c(c([nH]c1C(=O)C(Cl)(Cl)Cl)Br)Br
Chemical ID:
5871037
Name [?]:
2,2,2-trichloro-1-(4,5-dibromo-1H-pyrrol-2-yl)-ethanone
SMILES [?]:
c1c(c([nH]c1C(=O)C(Cl)(Cl)Cl)Br)Br
InChi [?]:
InChI=1/C6H2Br2Cl3NO/c7-2-1-3(12-5(2)8)4(13)6(9,10)11/h1,12H
InChi Info:
AuxInfo=1/0/N:1,2,5,6,3,8,13,12,9,10,11,4,7/E:(9,10,11)/rA:13nCCCNCCOCClClClBrBr/rB:s1;d2;s3;d1s4;s5;d6;s6;s8;s8;s8;s3;s2;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H2Br2Cl3NO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:8.7675
Area:399.951
Solvation:-1.23128
Coulombic:-23.2383
Bond Count [?]
All:13
Single:10
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:370.252
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.31
LogP (Chemaxon):3.02

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue