ChemDB: Chemical Search
Download
Chemical ID: 5774871
Chemical ID:
5774871
Name [?]:
1-[(4-chlorophenyl)methyl]-3,5-diphenyl-pyrazole
SMILES [?]:
c1ccc(cc1)c2cc(n(n2)Cc3ccc(cc3)Cl)c4ccccc4
InChi [?]:
InChI=1/C22H17ClN2/c23-20-13-11-17(12-14-20)16-25-22(19-9-5-2-6-10-19)15-21(24-25)18-7-3-1-4-8-18/h1-15H,16H2
InChi Info:
AuxInfo=1/0/N:1,23,2,6,22,24,3,5,21,25,14,18,15,17,8,12,13,4,20,16,7,9,19,11,10/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:25nCCCCCCCCCNNCCCCCCCClCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;s13;d14;s15;d16;d13s17;s16;s9;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17ClN2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8375 |
Area: | 561.464 |
Solvation: | -2.19913 |
Coulombic: | -10.2245 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 344.837 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 6.74 |
LogP (Chemaxon): | 6.15 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|