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Chemical ID: 6494266

Chemical ID:

6494266

Name [?]:

3-bromo-8-(4-methyl-1,2,5-oxadiazol-3-yl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene

SMILES [?]:

Cc1c(non1)c2cn3cc(ccc3n2)Br

InChi [?]:

InChI=1/C10H7BrN4O/c1-6-10(14-16-13-6)8-5-15-4-7(11)2-3-9(15)12-8/h2-5H,1H3

InChi Info:

AuxInfo=1/0/N:1,12,13,10,8,2,11,7,14,3,16,15,6,4,9,5/rA:16nCCCNONCCNCCCCCNBr/rB:s1;s2;d3;s4;d2s5;s3;d7;s8;s9;d10;s11;d12;s9s13;s7d14;s11;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₇BrN₄O
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	8.02124
Area:	391.788
Solvation:	-1.77345
Coulombic:	-13.5671

Bond Count [?]

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

Chemical Properties

Molecular Weight:	279.093
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	2.81
LogP (Chemaxon):	2.61

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