ChemDB: Chemical Search
Download
Chemical ID: 5028163
Chemical ID:
5028163
Name [?]:
ethyl 2-ethoxycarbonylaminoethynylaminoformate
SMILES [?]:
CCOC(=O)NC#CNC(=O)OCC
InChi [?]:
InChI=1/C8H12N2O4/c1-3-13-7(11)9-5-6-10-8(12)14-4-2/h3-4H2,1-2H3,(H,9,11)(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,14,2,13,7,8,4,10,6,9,5,11,3,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/gE:(1,2)/rA:14nCCOCONCCNCOOCC/rB:s1;s2;s3;d4;s4;s6;t7;s8;s9;d10;s10;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H12N2O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.99765 |
Area: | 417.174 |
Solvation: | -2.4317 |
Coulombic: | -61.7502 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 200.192 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.33 |
LogP (Chemaxon): | 0.81 |
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 |
---|