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Chemical ID: 6049450
Chemical ID:
6049450
Name [?]:
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-pyrazole-3-carboxylic acid
SMILES [?]:
Cc1c(n(nc1C(=O)O)c2ccc(cc2Cl)Cl)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C17H11Cl3N2O2/c1-9-15(17(23)24)21-22(14-7-6-12(19)8-13(14)20)16(9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,19,23,20,22,12,11,14,2,18,21,13,15,10,6,3,7,24,17,16,5,4,8,9/E:(2,3)(4,5)(23,24)/rA:24nCCCNNCCOOCCCCCCClClCCCCCCCl/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s4;s10;d11;s12;d13;d10s14;s15;s13;s3;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H11Cl3N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4192 |
Area: | 553.101 |
Solvation: | -2.40833 |
Coulombic: | -36.1313 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 381.64 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.66 |
LogP (Chemaxon): | 5.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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