ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7728495

Chemical ID:

7728495

Name [?]:

None

SMILES [?]:

c1cc(sc1)C(=O)c2cnc3n2cccn3

InChi [?]:

InChI=1/C11H7N3OS/c15-10(9-3-1-6-16-9)8-7-13-11-12-4-2-5-14(8)11/h1-7H

InChi Info:

AuxInfo=1/0/N:1,14,2,15,13,5,9,8,3,6,11,16,10,12,7,4/rA:16nCCCSCCOCCNCNCCCN/rB:s1;d2;s3;d1s4;s3;d6;s6;d8;s9;d10;s8s11;s12;d13;s14;s11d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₇N₃OS
All Atoms:	23
Heavy Atoms:	16
Chiral Atoms:	None

ZAP Information [?]

Total:	7.27042
Area:	383.797
Solvation:	-2.3245
Coulombic:	-27.0617

Bond Count [?]

All:	18
Single:	11
Double:	7
Rotors:	2
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.57
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