ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7710796

Chemical ID:

7710796

Name [?]:

None

SMILES [?]:

Cc1cccc(c1C)NC(=O)c2c(nns2)C

InChi [?]:

InChI=1/C12H13N3OS/c1-7-5-4-6-10(8(7)2)13-12(16)11-9(3)14-15-17-11/h4-6H,1-3H3,(H,13,16)

InChi Info:

AuxInfo=1/1/N:1,8,17,4,3,5,2,7,13,6,12,10,9,14,15,11,16/rA:17nCCCCCCCCNCOCCNNSC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;d12;s13;d14;s12s15;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₃N₃OS
All Atoms:	30
Heavy Atoms:	17
Chiral Atoms:	None

ZAP Information [?]

Total:	8.63749
Area:	422.39
Solvation:	-1.92226
Coulombic:	-22.8607

Bond Count [?]

All:	18
Single:	12
Double:	6
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.25
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