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Chemical ID: 4949435
Chemical ID:
4949435
Name [?]:
3-hydroxy-1H-quinazoline-2,4-dione
SMILES [?]:
c1ccc2c(c1)c(=O)n(c(=O)[nH]2)O
InChi [?]:
InChI=1/C8H6N2O3/c11-7-5-3-1-2-4-6(5)9-8(12)10(7)13/h1-4,13H,(H,9,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,10,12,9,8,11,13/rA:13nCCCCCCCONCONO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s4s10;s9;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H6N2O3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.32047 |
Area: | 317.963 |
Solvation: | -2.62861 |
Coulombic: | -48.8737 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 178.145 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.58 |
LogP (Chemaxon): | 0.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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