ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7667424

Chemical ID:

7667424

Name [?]:

None

SMILES [?]:

COc1ccc(cc1)Nc2nc3c(cccc3s2)F

InChi [?]:

InChI=1/C14H11FN2OS/c1-18-10-7-5-9(6-8-10)16-14-17-13-11(15)3-2-4-12(13)19-14/h2-8H,1H3,(H,16,17)

InChi Info:

AuxInfo=1/1/N:1,15,14,16,5,7,4,8,6,3,13,17,12,10,19,9,11,2,18/E:(5,6)(7,8)/rA:19nCOCCCCCCNCNCCCCCCSF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s13;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₁FN₂OS
All Atoms:	30
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	7.63977
Area:	438.763
Solvation:	-3.32931
Coulombic:	-29.8154

Bond Count [?]

All:	21
Single:	14
Double:	7
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.22
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

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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