ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 6718284

Chemical ID:

6718284

Name [?]:

4-(1-methyl-3H-benzoimidazol-2-yl)-1,2,5-oxadiazol-3-amine

SMILES [?]:

Cn1c2ccccc2[nH+]c1c3c(non3)N

InChi [?]:

InChI=1/C10H9N5O/c1-15-7-5-3-2-4-6(7)12-10(15)8-9(11)14-16-13-8/h2-5H,1H3,(H2,11,14)/p+1

InChi Info:

AuxInfo=1/1/N:1,6,5,7,4,8,3,11,12,10,16,9,15,13,2,14/rA:16nCNCCCCCCN+CCCNONN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2d9;s10;s11;d12;s13;d11s14;s12;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₀N₅O+
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	-23.5246
Area:	370.34
Solvation:	-32.7831
Coulombic:	-21.2142

Bond Count [?]

All:	18
Single:	12
Double:	6
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	216.219
H-Bond Donors:	2
H-Bond Acceptors:	1
XLogP:	2.24
LogP (Chemaxon):	2.23

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value