ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7225726

Chemical ID:

7225726

Name [?]:

None

SMILES [?]:

CC(CN1c2ccccc2CCc3c1cccc3)C[NH+](C)C

InChi [?]:

InChI=1/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3/p+1

InChi Info:

AuxInfo=1/1/N:1,21,22,8,17,7,16,9,18,6,15,11,12,19,3,2,10,13,5,14,20,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(17,18)(19,20)/rA:22cCCCNCCCCCCCCCCCCCCCN+CC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s4s13;d14;s15;d16;d13s17;s2;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₇N₂₊
All Atoms:	49
Heavy Atoms:	22
Chiral Atoms:	None

ZAP Information [?]

Total:	-19.3878
Area:	488.757
Solvation:	-31.6068
Coulombic:	20.5317

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.33
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