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Chemical ID: 7191459
Chemical ID:
7191459
Name [?]:
3,5-bis(3,4-dichlorophenyl)-4-methyl-1-(m-tolylmethyl)pyrazole
SMILES [?]:
Cc1cccc(c1)Cn2c(c(c(n2)c3ccc(c(c3)Cl)Cl)C)c4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C24H18Cl4N2/c1-14-4-3-5-16(10-14)13-30-24(18-7-9-20(26)22(28)12-18)15(2)23(29-30)17-6-8-19(25)21(27)11-17/h3-12H,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,4,3,5,15,24,16,25,7,19,28,8,2,11,6,14,23,17,26,18,27,12,10,21,30,20,29,13,9/rA:30nCCCCCCCCNCCCNCCCCCCClClCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s18;s17;s11;s10;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18Cl4N2 |
All Atoms: | 48 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.7463 |
Area: | 683.244 |
Solvation: | -2.33479 |
Coulombic: | -10.084 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 476.224 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 9.19 |
LogP (Chemaxon): | 8.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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