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Chemical ID: 5232997
Chemical ID:
5232997
Name [?]:
2-(4,6-dihydroxy-1,3,5-triazin-2-yl)-N-(2-methoxyphenyl)-acetamide
SMILES [?]:
COc1ccccc1NC(=O)Cc2nc(nc(n2)O)O
InChi [?]:
InChI=1/C12H12N4O4/c1-20-8-5-3-2-4-7(8)13-10(17)6-9-14-11(18)16-12(19)15-9/h2-5H,6H2,1H3,(H,13,17)(H2,14,15,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,12,8,3,13,10,15,17,9,14,18,16,11,20,19,2/E:(11,12)(14,15)(18,19)/rA:20nCOCCCCCCNCOCCNCNCNOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12N4O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.69856 |
Area: | 460.906 |
Solvation: | -4.82409 |
Coulombic: | -79.3186 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 276.248 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.33 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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