ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7699080

Chemical ID:

7699080

Name [?]:

None

SMILES [?]:

c1ccc(cc1)CCCN2CCN(CC2)Cc3cccc(c3)F

InChi [?]:

InChI=1/C20H25FN2/c21-20-10-4-8-19(16-20)17-23-14-12-22(13-15-23)11-5-9-18-6-2-1-3-7-18/h1-4,6-8,10,16H,5,9,11-15,17H2

InChi Info:

AuxInfo=1/0/N:1,2,6,19,8,3,5,18,7,20,9,11,15,12,14,22,16,4,17,21,23,10,13/E:(2,3)(6,7)(12,13)(14,15)/rA:23nCCCCCCCCCNCCNCCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅FN₂
All Atoms:	48
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	10.7937
Area:	541.223
Solvation:	-2.73692
Coulombic:	-16.6124

Bond Count [?]

All:	25
Single:	19
Double:	6
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.8
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