ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7669676

Chemical ID:

7669676

Name [?]:

None

SMILES [?]:

c1cc(sc1)c2nnn(n2)CC(=O)N3CCOCC3

InChi [?]:

InChI=1/C11H13N5O2S/c17-10(15-3-5-18-6-4-15)8-16-13-11(12-14-16)9-2-1-7-19-9/h1-2,7H,3-6,8H2

InChi Info:

AuxInfo=1/0/N:1,2,15,19,16,18,5,11,3,12,6,7,10,8,14,9,13,17,4/E:(3,4)(5,6)/rA:19nCCCSCCNNNNCCONCCOCC/rB:s1;d2;s3;d1s4;s3;s6;d7;s8;d6s9;s9;s11;d12;s12;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₁₃N₅O₂S
All Atoms:	32
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	7.10016
Area:	464.942
Solvation:	-4.52339
Coulombic:	-28.9712

Bond Count [?]

All:	21
Single:	16
Double:	5
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.16
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

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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