ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7667444

Chemical ID:

7667444

Name [?]:

None

SMILES [?]:

c1cc(c2c(c1)sc(n2)Nc3nnc(o3)c4ccco4)F

InChi [?]:

InChI=1/C13H7FN4O2S/c14-7-3-1-5-9-10(7)15-13(21-9)16-12-18-17-11(20-12)8-4-2-6-19-8/h1-6H,(H,15,16,18)

InChi Info:

AuxInfo=1/1/N:1,18,2,17,6,19,3,16,5,4,14,11,8,21,9,10,13,12,20,15,7/rA:21nCCCCCCSCNNCNNCOCCCCOF/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;d11;s12;d13;s11s14;s14;d16;s17;d18;s16s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₇FN₄O₂S
All Atoms:	28
Heavy Atoms:	21
Chiral Atoms:	None

ZAP Information [?]

Total:	8.15306
Area:	471.73
Solvation:	-3.6402
Coulombic:	-44.7276

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.37
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