ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7668489

Chemical ID:

7668489

Name [?]:

None

SMILES [?]:

c1cc(c2c(c1)sc(n2)N3CCCCC3)F

InChi [?]:

InChI=1/C12H13FN2S/c13-9-5-4-6-10-11(9)14-12(16-10)15-7-2-1-3-8-15/h4-6H,1-3,7-8H2

InChi Info:

AuxInfo=1/0/N:13,12,14,1,2,6,11,15,3,5,4,8,16,9,10,7/E:(2,3)(7,8)/rA:16nCCCCCCSCNNCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;s11;s12;s13;s10s14;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₃FN₂S
All Atoms:	29
Heavy Atoms:	16
Chiral Atoms:	None

ZAP Information [?]

Total:	7.66653
Area:	388.521
Solvation:	-2.04649
Coulombic:	-18.21

Bond Count [?]

All:	18
Single:	14
Double:	4
Rotors:	1
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.16
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