Chemical ID: 6422380

c1ccc(cc1)c2c(c([nH]n2)N)N=Nc3ccccc3Cl
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

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