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Chemical ID: 5787815

Chemical ID:

5787815

Name [?]:

6-(p-tolylsulfonyl)-6-azabicyclo[3.1.0]hexane

SMILES [?]:

Cc1ccc(cc1)S(=O)(=O)N2C3C2CCC3

InChi [?]:

InChI=1/C12H15NO2S/c1-9-5-7-10(8-6-9)16(14,15)13-11-3-2-4-12(11)13/h5-8,11-12H,2-4H2,1H3

InChi Info:

AuxInfo=1/0/N:1,15,14,16,3,7,4,6,2,5,13,12,11,9,10,8/E:(3,4)(5,6)(7,8)(11,12)(14,15)/CRV:16.6/rA:16cCCCCCCCSOONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s11s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₅NO₂S
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	2

ZAP Information [?]

Total:	7.99103
Area:	401.683
Solvation:	-2.05105
Coulombic:	-8.34325

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	237.319
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.28
LogP (Chemaxon):	2.33

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value