Chemical ID: 5783529

c1cc(ccc1C(=O)NCCO)C(=O)NCCO
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue