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Chemical ID: 4606856
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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