ChemDB: Chemical Search
Download
Chemical ID: 7683192
Chemical ID:
7683192
Name [?]:
None
SMILES [?]:
CCCN(c1nc(c(s1)C(=O)OCC)C)C(=O)C
InChi [?]:
InChI=1/C12H18N2O3S/c1-5-7-14(9(4)15)12-13-8(3)10(18-12)11(16)17-6-2/h5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,14,15,18,2,13,3,7,16,8,10,5,6,4,17,11,12,9/rA:18nCCCNCNCCSCOOCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s8;d10;s10;s12;s13;s7;s4;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O3S |
All Atoms: | 36 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.57526 |
Area: | 468.541 |
Solvation: | -3.13827 |
Coulombic: | -39.7443 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.27 |
LogP (Chemaxon): | None |
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 |
---|