ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7197096

Chemical ID:

7197096

Name [?]:

3-cyclopropyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one

SMILES [?]:

C1CCC2(CC1)C(=O)N(C(=S)N2)C3CC3

InChi [?]:

InChI=1/C11H16N2OS/c14-9-11(6-2-1-3-7-11)12-10(15)13(9)8-4-5-8/h8H,1-7H2,(H,12,15)

InChi Info:

AuxInfo=1/1/N:1,2,6,14,15,3,5,13,7,10,4,12,9,8,11/E:(2,3)(4,5)(6,7)/rA:15nCCCCCCCONCSNCCC/rB:s1;s2;s3;s4;s1s5;s4;d7;s7;s9;d10;s4s10;s9;s13;s13s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₆N₂OS
All Atoms:	31
Heavy Atoms:	15
Chiral Atoms:	0

ZAP Information [?]

Total:	8.51071
Area:	382.311
Solvation:	-1.04705
Coulombic:	-30.8392

Bond Count [?]

All:	17
Single:	15
Double:	2
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	224.324
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	1.46
LogP (Chemaxon):	1.6

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