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Chemical ID: 6177411
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
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Experimental Annotations
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Descriptor Annotations
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