Chemical ID: 7245000

c1ccc(cc1)n2c(=O)cc([nH]2)CC(=O)O
Chemical ID:
7245000
Name [?]:
2-(5-oxo-1-phenyl-2H-pyrazol-3-yl)acetic acid
SMILES [?]:
c1ccc(cc1)n2c(=O)cc([nH]2)CC(=O)O
InChi [?]:
InChI=1/C11H10N2O3/c14-10-6-8(7-11(15)16)12-13(10)9-4-2-1-3-5-9/h1-6,12H,7H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,10,13,11,4,8,14,12,7,9,15,16/E:(2,3)(4,5)(15,16)/rA:16nCCCCCCNCOCCNCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;d10;s7s11;s11;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2O3
All Atoms:26
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.28827
Area:391.556
Solvation:-3.50064
Coulombic:-47.22
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:218.209
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.89
LogP (Chemaxon):0.73

Name Annotations

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Descriptor Annotations

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