ChemDB: Chemical Search
Download
Chemical ID: 7291499
Chemical ID:
7291499
Name [?]:
4-iodo-N-(2-thienylmethyl)benzamide
SMILES [?]:
c1cc(sc1)CNC(=O)c2ccc(cc2)I
InChi [?]:
InChI=1/C12H10INOS/c13-10-5-3-9(4-6-10)12(15)14-8-11-2-1-7-16-11/h1-7H,8H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,11,15,12,14,5,6,10,13,3,8,16,7,9,4/E:(3,4)(5,6)/rA:16nCCCSCCNCOCCCCCCI/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10INOS |
All Atoms: | 26 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.6677 |
Area: | 455.248 |
Solvation: | -1.7135 |
Coulombic: | -24.2206 |
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.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|