Chemical ID: 4262809

c1ccc(cc1)c2c(c(n(n2)c3ccccc3)C(=O)O)C(=O)O
Chemical ID:
4262809
Name [?]:
2,5-diphenylpyrazole-3,4-dicarboxylic acid
SMILES [?]:
c1ccc(cc1)c2c(c(n(n2)c3ccccc3)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C17H12N2O4/c20-16(21)13-14(11-7-3-1-4-8-11)18-19(15(13)17(22)23)12-9-5-2-6-10-12/h1-10H,(H,20,21)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,15,2,6,14,16,3,5,13,17,4,12,8,7,9,21,18,11,10,22,23,19,20/E:(3,4)(5,6)(7,8)(9,10)(20,21)(22,23)/rA:23nCCCCCCCCCNNCCCCCCCOOCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s9;d18;s18;s8;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12N2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.06367
Area:481.846
Solvation:-2.98248
Coulombic:-61.7647
Bond Count [?]
All:25
Single:15
Double:10
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:308.288
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.18
LogP (Chemaxon):2.88

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