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Chemical ID: 4166947
Chemical ID:
4166947
Name [?]:
5-hydroxy-6-phenyl-2H-pyridazin-3-one
SMILES [?]:
c1ccc(cc1)c2c(cc(=O)[nH]n2)O
InChi [?]:
InChI=1/C10H8N2O2/c13-8-6-9(14)11-12-10(8)7-4-2-1-3-5-7/h1-6H,(H2,11,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,4,8,10,7,12,13,14,11/E:(2,3)(4,5)/rA:14nCCCCCCCCCCONNO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s10;d7s12;s8;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8N2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.01778 |
Area: | 343.757 |
Solvation: | -2.57614 |
Coulombic: | -36.847 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 188.183 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.08 |
LogP (Chemaxon): | 1.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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