Chemical ID: 6118746

c1ccc(cc1)C2=NNC(=N)C2=NNc3ccc(cc3Cl)Cl
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

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