ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7667783

Chemical ID:

7667783

Name [?]:

None

SMILES [?]:

COc1cccc(c1)Nc2nc3ccc(cc3s2)OC

InChi [?]:

InChI=1/C15H14N2O2S/c1-18-11-5-3-4-10(8-11)16-15-17-13-7-6-12(19-2)9-14(13)20-15/h3-9H,1-2H3,(H,16,17)

InChi Info:

AuxInfo=1/1/N:1,20,5,6,4,14,13,8,16,7,3,15,12,17,10,9,11,2,19,18/rA:20nCOCCCCCCNCNCCCCCCSOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s15;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₄N₂O₂S
All Atoms:	34
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	7.99253
Area:	473.151
Solvation:	-3.83624
Coulombic:	-32.5115

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.97
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