ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7712748

Chemical ID:

7712748

Name [?]:

None

SMILES [?]:

Cc1cccc(c1)N2CCN(CC2)C(=O)Nc3ccc(cc3)F

InChi [?]:

InChI=1/C18H20FN3O/c1-14-3-2-4-17(13-14)21-9-11-22(12-10-21)18(23)20-16-7-5-15(19)6-8-16/h2-8,13H,9-12H2,1H3,(H,20,23)

InChi Info:

AuxInfo=1/1/N:1,4,3,5,19,21,18,22,9,13,10,12,7,2,20,17,6,14,23,16,8,11,15/E:(5,6)(7,8)(9,10)(11,12)/rA:23nCCCCCCCNCCNCCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀FN₃O
All Atoms:	43
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	9.28748
Area:	507.867
Solvation:	-3.4092
Coulombic:	-40.7558

Bond Count [?]

All:	25
Single:	18
Double:	7
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.47
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