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Chemical ID: 7293204

Chemical ID:

7293204

Name [?]:

N-(cyclohexylmethyl)-2,5-dioxabicyclo[4.4.0]deca-6,8,10-triene-8-sulfonamide

SMILES [?]:

c1cc2c(cc1S(=O)(=O)NCC3CCCCC3)OCCO2

InChi [?]:

InChI=1/C15H21NO4S/c17-21(18,16-11-12-4-2-1-3-5-12)13-6-7-14-15(10-13)20-9-8-19-14/h6-7,10,12,16H,1-5,8-9,11H2

InChi Info:

AuxInfo=1/0/N:15,14,16,13,17,1,2,20,19,5,11,12,6,3,4,10,8,9,21,18,7/E:(2,3)(4,5)(17,18)/CRV:21.6/rA:21nCCCCCCSOONCCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s13;s14;s15;s12s16;s4;s18;s19;s3s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₂₁NO₄S
All Atoms:	42
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.96896
Area:	493.199
Solvation:	-3.361
Coulombic:	-28.667

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	311.398
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.94
LogP (Chemaxon):	2.14

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