Chemical ID: 5624265

c1ccc(cc1)C2=NN(C(=O)C2)c3ccccc3C(=O)O
Chemical ID:
5624265
Name [?]:
2-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzoic acid
SMILES [?]:
c1ccc(cc1)C2=NN(C(=O)C2)c3ccccc3C(=O)O
InChi [?]:
InChI=1/C16H12N2O3/c19-15-10-13(11-6-2-1-3-7-11)17-18(15)14-9-5-4-8-12(14)16(20)21/h1-9H,10H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,15,3,5,17,14,12,4,18,7,13,10,19,8,9,11,20,21/E:(2,3)(6,7)(20,21)/rA:21nCCCCCCCNNCOCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s7s10;s9;s13;d14;s15;d16;d13s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.22117
Area:456.5
Solvation:-3.19133
Coulombic:-42.7719
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.278
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.78
LogP (Chemaxon):2.62

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