Chemical ID: 6049450

Cc1c(n(nc1C(=O)O)c2ccc(cc2Cl)Cl)c3ccc(cc3)Cl
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

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