Chemical ID: 6177411

c1cc(c(cc1Cl)NC(=O)c2ccc(s2)Br)Cl
Chemical ID:
6177411
Name [?]:
5-bromo-N-(2,5-dichlorophenyl)-thiophene-2-carboxamide
SMILES [?]:
c1cc(c(cc1Cl)NC(=O)c2ccc(s2)Br)Cl
InChi [?]:
InChI=1/C11H6BrCl2NOS/c12-10-4-3-9(17-10)11(16)15-8-5-6(13)1-2-7(8)14/h1-5H,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,5,6,3,4,11,14,9,16,7,17,8,10,15/rA:17nCCCCCCClNCOCCCCSBrCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s9;d11;s12;d13;s11s14;s14;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H6BrCl2NOS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:10.4108
Area:467.78
Solvation:-1.28372
Coulombic:-24.171
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:351.047
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.68
LogP (Chemaxon):3.62

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