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Chemical ID: 4262809
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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