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Chemical ID: 6422380
Chemical ID:
6422380
Name [?]:
4-(2-chlorophenyl)azo-5-phenyl-2H-pyrazol-3-amine
SMILES [?]:
c1ccc(cc1)c2c(c([nH]n2)N)N=Nc3ccccc3Cl
InChi [?]:
InChI=1/C15H12ClN5/c16-11-8-4-5-9-12(11)18-20-14-13(19-21-15(14)17)10-6-2-1-3-7-10/h1-9H,(H3,17,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,17,3,5,19,16,4,20,15,7,8,9,21,12,14,11,13,10/E:(2,3)(6,7)/rA:21nCCCCCCCCCNNNNNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s8;w13;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12ClN5 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.61476 |
Area: | 461.41 |
Solvation: | -1.92048 |
Coulombic: | -34.476 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 297.742 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.39 |
LogP (Chemaxon): | 4.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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