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Chemical ID: 5178987

Chemical ID:

5178987

Name [?]:

2-methoxy-6-phenyl-5,6-dihydro-1,4,3-oxathiazine 4,4-dioxide

SMILES [?]:

COC1=NS(=O)(=O)CC(O1)c2ccccc2

InChi [?]:

InChI=1/C10H11NO4S/c1-14-10-11-16(12,13)7-9(15-10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3

InChi Info:

AuxInfo=1/0/N:1,14,13,15,12,16,8,11,9,3,4,6,7,2,10,5/E:(3,4)(5,6)(12,13)/CRV:16.6/rA:16cCOCNSOOCCOCCCCCC/rB:s1;s2;d3;s4;d5;d5;s5;s8;s3s9;s9;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₁₁NO₄S
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	1

ZAP Information [?]

Total:	6.53346
Area:	396.79
Solvation:	-3.38629
Coulombic:	-25.7827

Bond Count [?]

All:	17
Single:	11
Double:	6
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	241.265
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	1.92
LogP (Chemaxon):	1.71

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