ChemDB: Chemical Search
Download
Chemical ID: 6571016
Chemical ID:
6571016
Name [?]:
N-isopropyl-6-thiabicyclo[3.3.0]octa-7,9-diene-7-carboxamide
SMILES [?]:
CC(C)NC(=O)c1cc2c(s1)CCC2
InChi [?]:
InChI=1/C11H15NOS/c1-7(2)12-11(13)10-6-8-4-3-5-9(8)14-10/h6-7H,3-5H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,13,14,12,8,2,9,10,7,5,4,6,11/E:(1,2)/rA:14nCCCNCOCCCCSCCC/rB:s1;s2;s2;s4;d5;s5;d7;s8;d9;s7s10;s10;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NOS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.58842 |
Area: | 389.268 |
Solvation: | -1.14329 |
Coulombic: | -23.1624 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 209.309 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.14 |
LogP (Chemaxon): | 1.54 |
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 |
---|