Chemical ID: 5210444

c1ccc(cc1)C(=O)Nc2c([nH][nH]c2=O)O
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

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Descriptor Annotations

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