ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7660497

Chemical ID:

7660497

Name [?]:

None

SMILES [?]:

Cc1ccccc1S(=O)(=O)Oc2ccc(cc2)NC(=O)C

InChi [?]:

InChI=1/C15H15NO4S/c1-11-5-3-4-6-15(11)21(18,19)20-14-9-7-13(8-10-14)16-12(2)17/h3-10H,1-2H3,(H,16,17)

InChi Info:

AuxInfo=1/1/N:1,21,4,5,3,6,14,16,13,17,2,19,15,12,7,18,20,9,10,11,8/E:(7,8)(9,10)(18,19)/CRV:21.6/rA:21nCCCCCCCSOOOCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₅NO₄S
All Atoms:	36
Heavy Atoms:	21
Chiral Atoms:	None

ZAP Information [?]

Total:	8.5726
Area:	467.401
Solvation:	-3.11242
Coulombic:	-28.6507

Bond Count [?]

All:	22
Single:	13
Double:	9
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.46
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