Chemical ID: 5800567

c1ccc(cc1)c2c(cn(n2)Cc3ccc(cc3Cl)Cl)C=O
Chemical ID:
5800567
Name [?]:
1-[(2,4-dichlorophenyl)methyl]-3-phenyl-pyrazole-4-carbaldehyde
SMILES [?]:
c1ccc(cc1)c2c(cn(n2)Cc3ccc(cc3Cl)Cl)C=O
InChi [?]:
InChI=1/C17H12Cl2N2O/c18-15-7-6-13(16(19)8-15)9-21-10-14(11-22)17(20-21)12-4-2-1-3-5-12/h1-8,10-11H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,14,15,17,12,9,21,4,13,8,16,18,7,20,19,11,10,22/E:(2,3)(4,5)/rA:22nCCCCCCCCCNNCCCCCCCClClCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;s8;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12Cl2N2O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.93675
Area:521.535
Solvation:-3.10162
Coulombic:-14.2685
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:331.195
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.02
LogP (Chemaxon):4.89

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