ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7724850

Chemical ID:

7724850

Name [?]:

None

SMILES [?]:

c1cc(sc1)c2nnc3n2nc(cc3)SCC(=O)N4CCOCC4

InChi [?]:

InChI=1/C15H15N5O2S2/c21-14(19-5-7-22-8-6-19)10-24-13-4-3-12-16-17-15(20(12)18-13)11-2-1-9-23-11/h1-4,9H,5-8,10H2

InChi Info:

AuxInfo=1/0/N:1,2,14,13,20,24,21,23,5,16,3,9,12,17,6,8,7,11,19,10,18,22,4,15/E:(5,6)(7,8)/rA:24nCCCSCCNNCNNCCCSCCONCCOCC/rB:s1;d2;s3;d1s4;s3;d6;s7;d8;s6s9;s10;d11;s12;s9d13;s12;s15;s16;d17;s17;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₅N₅O₂S₂
All Atoms:	39
Heavy Atoms:	24
Chiral Atoms:	None

ZAP Information [?]

Total:	8.89722
Area:	525.624
Solvation:	-4.24337
Coulombic:	-35.427

Bond Count [?]

All:	27
Single:	20
Double:	7
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.53
LogP (Chemaxon):	None

Name Annotations

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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