ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7712911

Chemical ID:

7712911

Name [?]:

None

SMILES [?]:

CCc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C

InChi [?]:

InChI=1/C15H17NO2S/c1-3-13-7-9-15(10-8-13)19(17,18)16-14-6-4-5-12(2)11-14/h4-11,16H,3H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,19,2,15,16,14,4,8,5,7,18,17,3,13,6,12,10,11,9/E:(7,8)(9,10)(17,18)/CRV:19.6/rA:19nCCCCCCCCSOONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₇NO₂S
All Atoms:	36
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	9.72573
Area:	456.058
Solvation:	-1.67572
Coulombic:	-14.4573

Bond Count [?]

All:	20
Single:	12
Double:	8
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.05
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