ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7697230

Chemical ID:

7697230

Name [?]:

None

SMILES [?]:

Cc1ccccc1S(=O)(=O)Nc2c(cc(cc2C)C)C

InChi [?]:

InChI=1/C16H19NO2S/c1-11-9-13(3)16(14(4)10-11)17-20(18,19)15-8-6-5-7-12(15)2/h5-10,17H,1-4H3

InChi Info:

AuxInfo=1/0/N:19,1,18,20,4,5,3,6,16,14,15,2,17,13,7,12,11,9,10,8/E:(3,4)(9,10)(13,14)(18,19)/CRV:20.6/rA:20nCCCCCCCSOONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₉NO₂S
All Atoms:	39
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	9.43156
Area:	441.624
Solvation:	-1.60904
Coulombic:	-14.1205

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.83
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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