ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7598876

Chemical ID:

7598876

Name [?]:

None

SMILES [?]:

Cc1csc2c1c3c(cc2)[nH]c4c3CN(CC4)C

InChi [?]:

InChI=1/C15H16N2S/c1-9-8-18-13-4-3-12-15(14(9)13)10-7-17(2)6-5-11(10)16-12/h3-4,8,16H,5-7H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,18,9,10,17,16,14,3,2,13,12,8,5,6,7,11,15,4/rA:18cCCCSCCCCCCNCCCNCCC/rB:s1;d2;s3;s4;s2s5;d6;s7;d8;d5s9;s8;s11;s7d12;s13;s14;s15;s12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₆N₂S
All Atoms:	34
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	8.48675
Area:	402.235
Solvation:	-1.56913
Coulombic:	-16.3993

Bond Count [?]

All:	21
Single:	16
Double:	5
Rotors:	0
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.62
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