ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7668637

Chemical ID:

7668637

Name [?]:

None

SMILES [?]:

c1cc2c(cc1F)sc(n2)N3CCCCC3

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:14,13,15,1,2,12,16,5,6,3,4,9,7,10,11,8/E:(2,3)(6,7)/rA:16nCCCCCCFSCNNCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s3d9;s9;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	7.72138
Area:	389.598
Solvation:	-2.01858
Coulombic:	-17.2605

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