Chemical ID: 5592623

c1cc(cc(c1)I)C(=O)NCc2cccs2
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

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