Chemical ID: 6422375

c1ccc(cc1)c2c(c(n(n2)c3ccccc3)N)N=Nc4ccccc4
Chemical ID:
6422375
Name [?]:
2,5-diphenyl-4-phenylazo-pyrazol-3-amine
SMILES [?]:
c1ccc(cc1)c2c(c(n(n2)c3ccccc3)N)N=Nc4ccccc4
InChi [?]:
InChI=1/C21H17N5/c22-21-20(24-23-17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)25-26(21)18-14-8-3-9-15-18/h1-15H,22H2
InChi Info:
AuxInfo=1/0/N:1,24,15,2,6,23,25,14,16,3,5,22,26,13,17,4,21,12,7,8,9,18,20,19,11,10/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26nCCCCCCCCCNNCCCCCCNNNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s9;s8;w19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17N5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.0195
Area:522.271
Solvation:-2.03725
Coulombic:-31.2302
Bond Count [?]
All:29
Single:17
Double:12
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:339.393
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:6.14
LogP (Chemaxon):5.55

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