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Chemical ID: 4686629

Chemical ID:

4686629

Name [?]:

1-[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]benzotriazole

SMILES [?]:

Cc1ccc(cc1)c2nc(no2)n3c4ccccc4nn3

InChi [?]:

InChI=1/C15H11N5O/c1-10-6-8-11(9-7-10)14-16-15(18-21-14)20-13-5-3-2-4-12(13)17-19-20/h2-9H,1H3

InChi Info:

AuxInfo=1/0/N:1,17,16,18,15,3,7,4,6,2,5,19,14,8,10,9,20,11,21,13,12/E:(6,7)(8,9)/rA:21nCCCCCCCCNCNONCCCCCCNN/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s10;s13;s14;d15;s16;d17;d14s18;s19;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₁N₅O
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1109
Area:	464.894
Solvation:	-1.51149
Coulombic:	-21.524

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	277.281
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	3.25
LogP (Chemaxon):	4.3

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value