ChemDB: Chemical Search
Download
Chemical ID: 6118746
Chemical ID:
6118746
Name [?]:
2,4-dichloro-N-[(3-imino-5-phenyl-2H-pyrazol-4-ylidene)amino]aniline
SMILES [?]:
c1ccc(cc1)C2=NNC(=N)C2=NNc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C15H11Cl2N5/c16-10-6-7-12(11(17)8-10)19-21-14-13(20-22-15(14)18)9-4-2-1-3-5-9/h1-8,19H,(H2,18,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,17,16,19,4,18,20,15,7,12,10,22,21,11,14,8,13,9/E:(2,3)(4,5)/rA:22nCCCCCCCNNCNCNNCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;w10;s7s10;w12;s13;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11Cl2N5 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0425 |
Area: | 489.675 |
Solvation: | -2.19939 |
Coulombic: | -35.8569 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 332.187 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 5.97 |
LogP (Chemaxon): | 5.54 |
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 |
---|