ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7667042

Chemical ID:

7667042

Name [?]:

None

SMILES [?]:

Cc1ccnc(n1)SCC(=O)Nc2nc(cs2)C

InChi [?]:

InChI=1/C11H12N4OS2/c1-7-3-4-12-10(13-7)18-6-9(16)15-11-14-8(2)5-17-11/h3-5H,6H2,1-2H3,(H,14,15,16)

InChi Info:

AuxInfo=1/1/N:1,18,3,4,16,9,2,15,10,6,13,5,7,14,12,11,17,8/rA:18nCCCCNCNSCCONCNCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₂N₄OS₂
All Atoms:	30
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	8.30956
Area:	468.219
Solvation:	-3.3959
Coulombic:	-35.0872

Bond Count [?]

All:	19
Single:	13
Double:	6
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.47
LogP (Chemaxon):	None

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value