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Chemical ID: 6422376
Chemical ID:
6422376
Name [?]:
5-(4-chlorophenyl)-4-(2-chlorophenyl)azo-2H-pyrazol-3-amine
SMILES [?]:
c1ccc(c(c1)N=Nc2c(n[nH]c2N)c3ccc(cc3)Cl)Cl
InChi [?]:
InChI=1/C15H11Cl2N5/c16-10-7-5-9(6-8-10)13-14(15(18)22-20-13)21-19-12-4-2-1-3-11(12)17/h1-8H,(H3,18,20,22)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,16,20,17,19,15,18,4,5,10,9,13,21,22,14,7,11,8,12/E:(5,6)(7,8)/rA:22nCCCCCCNNCCNNCNCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s11;d9s12;s13;s10;s15;d16;s17;d18;d15s19;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11Cl2N5 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4926 |
Area: | 496.796 |
Solvation: | -1.92725 |
Coulombic: | -34.4668 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 332.187 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 6.01 |
LogP (Chemaxon): | 4.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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