Chemical ID: 5983495

COc1ccc(c(c1)OC)c2cc(n(n2)c3ccc(c(c3)Cl)Cl)C(=O)O
Chemical ID:
5983495
Name [?]:
2-(3,4-dichlorophenyl)-5-(2,4-dimethoxyphenyl)-pyrazole-3-carboxylic acid
SMILES [?]:
COc1ccc(c(c1)OC)c2cc(n(n2)c3ccc(c(c3)Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C18H14Cl2N2O4/c1-25-11-4-5-12(17(8-11)26-2)15-9-16(18(23)24)22(21-15)10-3-6-13(19)14(20)7-10/h3-9H,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,10,17,4,5,18,21,8,12,16,3,6,19,20,11,13,7,24,23,22,15,14,25,26,2,9/E:(23,24)/rA:26nCOCCCCCCOCCCCNNCCCCCCClClCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s13;d11s14;s14;s16;d17;s18;d19;d16s20;s20;s19;s13;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl2N2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.05047
Area:576.252
Solvation:-5.35582
Coulombic:-47.5334
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:393.22
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.72
LogP (Chemaxon):3.9

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