ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7707362

Chemical ID:

7707362

Name [?]:

None

SMILES [?]:

Cc1ccccc1S(=O)(=O)Nc2nc(cc(n2)C)C

InChi [?]:

InChI=1/C13H15N3O2S/c1-9-6-4-5-7-12(9)19(17,18)16-13-14-10(2)8-11(3)15-13/h4-8H,1-3H3,(H,14,15,16)

InChi Info:

AuxInfo=1/1/N:1,18,19,4,5,3,6,15,2,16,14,7,12,17,13,11,9,10,8/E:(2,3)(10,11)(14,15)(17,18)/CRV:19.6/rA:19nCCCCCCCSOONCNCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₅N₃O₂S
All Atoms:	34
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	8.59
Area:	437.095
Solvation:	-2.33738
Coulombic:	-23.7259

Bond Count [?]

All:	20
Single:	12
Double:	8
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.01
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