ChemDB: Chemical Search
Download
Chemical ID: 7245380
Chemical ID:
7245380
Name [?]:
2-chloro-N-(2-dimethylaminoethyl)-N-(1,1-dioxothiolan-3-yl)-acetamide
SMILES [?]:
CN(C)CCN(C1CCS(=O)(=O)C1)C(=O)CCl
InChi [?]:
InChI=1/C10H19ClN2O3S/c1-12(2)4-5-13(10(14)7-11)9-3-6-17(15,16)8-9/h9H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,8,4,5,9,16,13,7,14,17,2,6,15,11,12,10/E:(1,2)(15,16)/CRV:17.6/rA:17cCNCCCNCCCSOOCCOCCl/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;d10;s7s10;s6;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H19ClN2O3S |
All Atoms: | 36 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.0024 |
Area: | 461.089 |
Solvation: | -4.52483 |
Coulombic: | -21.3003 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 282.788 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | -0.12 |
LogP (Chemaxon): | -1.19 |
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 |
---|