ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7664357

Chemical ID:

7664357

Name [?]:

None

SMILES [?]:

C=CCSc1nc2c(c(n1)c3cccs3)CCCC2

InChi [?]:

InChI=1/C15H16N2S2/c1-2-9-19-15-16-12-7-4-3-6-11(12)14(17-15)13-8-5-10-18-13/h2,5,8,10H,1,3-4,6-7,9H2

InChi Info:

AuxInfo=1/0/N:1,2,17,18,13,16,19,12,3,14,8,7,11,9,5,6,10,15,4/rA:19nCCCSCNCCCNCCCCSCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;d11;s12;d13;s11s14;s8;s16;s17;s7s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₆N₂S₂
All Atoms:	35
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	10.748
Area:	477.032
Solvation:	-1.17782
Coulombic:	-15.8257

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.88
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