Chemical ID: 5102136

c1ccc(cc1)c2nc([nH]n2)c3ccccc3Cl
Chemical ID:
5102136
Name [?]:
3-(2-chlorophenyl)-5-phenyl-2H-1,2,4-triazole
SMILES [?]:
c1ccc(cc1)c2nc([nH]n2)c3ccccc3Cl
InChi [?]:
InChI=1/C14H10ClN3/c15-12-9-5-4-8-11(12)14-16-13(17-18-14)10-6-2-1-3-7-10/h1-9H,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,15,3,5,13,16,4,12,17,7,9,18,8,11,10/E:(2,3)(6,7)/rA:18nCCCCCCCNCNNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10ClN3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.14429
Area:427.866
Solvation:-1.55237
Coulombic:-20.2124
Bond Count [?]
All:20
Single:12
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:255.702
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.77
LogP (Chemaxon):4.42

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