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Chemical ID: 6456600
Chemical ID:
6456600
Name [?]:
5-chloro-N-(2-iodophenyl)-thiophene-2-carboxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc(s2)Cl)I
InChi [?]:
InChI=1/C11H7ClINOS/c12-10-6-5-9(16-10)11(15)14-8-4-2-1-3-7(8)13/h1-6H,(H,14,15)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,11,12,4,5,10,13,8,15,16,7,9,14/rA:16nCCCCCCNCOCCCCSClI/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;d10;s11;d12;s10s13;s13;s4;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H7ClINOS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88381 |
Area: | 447.133 |
Solvation: | -1.29451 |
Coulombic: | -24.1552 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 363.603 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.33 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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