ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7659343

Chemical ID:

7659343

Name [?]:

None

SMILES [?]:

c1ccc(cc1)n2c(nnn2)SCC3CO3

InChi [?]:

InChI=1/C10H10N4OS/c1-2-4-8(5-3-1)14-10(11-12-13-14)16-7-9-6-15-9/h1-5,9H,6-7H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,5,15,13,4,14,8,9,10,11,7,16,12/E:(2,3)(4,5)/rA:16cCCCCCCNCNNNSCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s8;s12;s13;s14;s14s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₀N₄OS
All Atoms:	26
Heavy Atoms:	16
Chiral Atoms:	None

ZAP Information [?]

Total:	7.41694
Area:	413.596
Solvation:	-2.92296
Coulombic:	-15.5433

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.91
LogP (Chemaxon):	None

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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