ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7715551

Chemical ID:

7715551

Name [?]:

None

SMILES [?]:

Cc1c(sc2c1c(=O)[nH]c(n2)COC(=O)C)C

InChi [?]:

InChI=1/C11H12N2O3S/c1-5-6(2)17-11-9(5)10(15)12-8(13-11)4-16-7(3)14/h4H2,1-3H3,(H,12,13,15)

InChi Info:

AuxInfo=1/1/N:1,17,16,12,2,3,14,10,6,7,5,9,11,15,8,13,4/rA:17nCCCSCCCONCNCOCOCC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;s5d10;s10;s12;s13;d14;s14;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₂N₂O₃S
All Atoms:	29
Heavy Atoms:	17
Chiral Atoms:	None

ZAP Information [?]

Total:	7.70817
Area:	427.222
Solvation:	-2.97239
Coulombic:	-43.3506

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	-0.02
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