Chemical ID: 4606856

c1ccc(cc1)n2c(c(c(n2)c3ccccc3Cl)C=O)Cl
Chemical ID:
4606856
Name [?]:
5-chloro-3-(2-chlorophenyl)-1-phenyl-pyrazole-4-carbaldehyde
SMILES [?]:
c1ccc(cc1)n2c(c(c(n2)c3ccccc3Cl)C=O)Cl
InChi [?]:
InChI=1/C16H10Cl2N2O/c17-14-9-5-4-8-12(14)15-13(10-21)16(18)20(19-15)11-6-2-1-3-7-11/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,14,15,3,5,13,16,19,4,12,9,17,10,8,18,21,11,7,20/E:(2,3)(6,7)/rA:21nCCCCCCNCCCNCCCCCCClCOCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s10;s12;d13;s14;d15;d12s16;s17;s9;d19;s8;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10Cl2N2O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.02961
Area:480.859
Solvation:-2.99187
Coulombic:-14.9556
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:317.169
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.89
LogP (Chemaxon):4.41

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