Chemical ID: 5878765

c1ccc(cc1)c2cc(n(n2)c3ccccc3Cl)OC(=O)c4ccc(cc4)Cl
Chemical ID:
5878765
Name [?]:
[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-chlorobenzoate
SMILES [?]:
c1ccc(cc1)c2cc(n(n2)c3ccccc3Cl)OC(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C22H14Cl2N2O2/c23-17-12-10-16(11-13-17)22(27)28-21-14-19(15-6-2-1-3-7-15)25-26(21)20-9-5-4-8-18(20)24/h1-14H
InChi Info:
AuxInfo=1/0/N:1,2,6,15,14,3,5,16,13,23,27,24,26,8,4,22,25,17,7,12,9,20,28,18,11,10,21,19/E:(2,3)(6,7)(10,11)(12,13)/rA:28nCCCCCCCCCNNCCCCCCClOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s17;s9;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H14Cl2N2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.1402
Area:608.243
Solvation:-2.06591
Coulombic:-30.5971
Bond Count [?]
All:31
Single:19
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:409.264
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.26
LogP (Chemaxon):6.29

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