ChemDB: Chemical Search
Download
Chemical ID: 5783529
Chemical ID:
5783529
Name [?]:
N,N'-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
SMILES [?]:
c1cc(ccc1C(=O)NCCO)C(=O)NCCO
InChi [?]:
InChI=1/C12H16N2O4/c15-7-5-13-11(17)9-1-2-10(4-3-9)12(18)14-6-8-16/h1-4,15-16H,5-8H2,(H,13,17)(H,14,18)
InChi Info:
AuxInfo=1/1/N:1,2,5,4,10,16,11,17,6,3,7,13,9,15,12,18,8,14/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/gE:(1,2)/rA:18nCCCCCCCONCCOCONCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s3;d13;s13;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.6342 |
Area: | 469.877 |
Solvation: | -5.11271 |
Coulombic: | -76.2256 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 252.267 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | -0.59 |
LogP (Chemaxon): | -1.04 |
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 |
---|