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Chemical ID: 5592623
Chemical ID:
5592623
Name [?]:
3-iodo-N-(2-thienylmethyl)benzamide
SMILES [?]:
c1cc(cc(c1)I)C(=O)NCc2cccs2
InChi [?]:
InChI=1/C12H10INOS/c13-10-4-1-3-9(7-10)12(15)14-8-11-5-2-6-16-11/h1-7H,8H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,2,6,13,15,4,11,3,5,12,8,7,10,9,16/rA:16nCCCCCCICONCCCCCS/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10INOS |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.7508 |
Area: | 456.846 |
Solvation: | -1.67034 |
Coulombic: | -24.1855 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 343.184 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.27 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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