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Chemical ID: 5755166
Chemical ID:
5755166
Name [?]:
N,N'-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
SMILES [?]:
c1cc(cc(c1)C(=O)NCCO)C(=O)NCCO
InChi [?]:
InChI=1/C12H16N2O4/c15-6-4-13-11(17)9-2-1-3-10(8-9)12(18)14-5-7-16/h1-3,8,15-16H,4-7H2,(H,13,17)(H,14,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,10,17,11,4,3,5,13,7,15,9,18,12,14,8/E:(2,3)(4,5)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)/gE:(1,2)/rA:18nCCCCCCCONCCOCONCCO/rB:s1;d2;s3;d4;d1s5;s5;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: | 6.51713 |
Area: | 470.168 |
Solvation: | -5.23707 |
Coulombic: | -76.0297 |
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
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Experimental Annotations
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Descriptor Annotations
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