Chemical ID: 7162768

c1ccc(cc1)Cn2ccc(n2)n3cnnn3
Chemical ID:
7162768
Name [?]:
1-(1-benzylpyrazol-3-yl)tetrazole
SMILES [?]:
c1ccc(cc1)Cn2ccc(n2)n3cnnn3
InChi [?]:
InChI=1/C11H10N6/c1-2-4-10(5-3-1)8-16-7-6-11(13-16)17-9-12-14-15-17/h1-7,9H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,9,7,14,4,11,15,12,16,17,8,13/E:(2,3)(4,5)/rA:17nCCCCCCCNCCCNNCNNN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;s8d11;s11;s13;d14;s15;s13d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N6
All Atoms:27
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.073
Area:413.29
Solvation:-2.25926
Coulombic:-10.7058
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:226.238
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.19
LogP (Chemaxon):1.68

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Descriptor Annotations

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