ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7680986

Chemical ID:

7680986

Name [?]:

None

SMILES [?]:

Cc1c(snn1)C(=O)NC(C)c2ccccc2

InChi [?]:

InChI=1/C12H13N3OS/c1-8(10-6-4-3-5-7-10)13-12(16)11-9(2)14-15-17-11/h3-8H,1-2H3,(H,13,16)

InChi Info:

AuxInfo=1/1/N:11,1,15,14,16,13,17,10,2,12,3,7,9,6,5,8,4/E:(4,5)(6,7)/rA:17cCCCSNNCONCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s3;d7;s7;s9;s10;s10;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.88161
Area:	432.177
Solvation:	-1.92282
Coulombic:	-24.6111

Bond Count [?]

All:	18
Single:	12
Double:	6
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.26
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