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Chemical ID: 5210444
Chemical ID:
5210444
Name [?]:
N-(3-hydroxy-5-oxo-1,2-dihydropyrazol-4-yl)benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2c([nH][nH]c2=O)O
InChi [?]:
InChI=1/C10H9N3O3/c14-8(6-4-2-1-3-5-6)11-7-9(15)12-13-10(7)16/h1-5H,(H,11,14)(H3,12,13,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,10,7,11,14,9,12,13,8,16,15/E:(2,3)(4,5)(9,10)(12,13)(15,16)/rA:16nCCCCCCCONCCNNCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;s12;s10s13;d14;s11;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9N3O3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.10009 |
Area: | 388.186 |
Solvation: | -3.60456 |
Coulombic: | -66.0863 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 219.197 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.02 |
LogP (Chemaxon): | 0.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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