ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7585499

Chemical ID:

7585499

Name [?]:

None

SMILES [?]:

Cc1ccc2c(c1)-c3cccc4c3C(C2)[NH+](CC4)C

InChi [?]:

InChI=1/C18H19N/c1-12-6-7-14-11-17-18-13(8-9-19(17)2)4-3-5-15(18)16(14)10-12/h3-7,10,17H,8-9,11H2,1-2H3/p+1

InChi Info:

AuxInfo=1/1/N:1,19,10,11,9,3,4,18,17,7,15,2,12,5,8,6,14,13,16/rA:19cCCCCCCCCCCCCCCCN+CCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;d8s12;s13;s5s14;s14;s16;s12s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀N+
All Atoms:	39
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	-19.5729
Area:	413.323
Solvation:	-29.906
Coulombic:	26.9337

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	0
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.94
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