ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7656495

Chemical ID:

7656495

Name [?]:

None

SMILES [?]:

c1cc(ccc1CN(C2CCCCC2)C(=O)CCl)F

InChi [?]:

InChI=1/C15H19ClFNO/c16-10-15(19)18(14-4-2-1-3-5-14)11-12-6-8-13(17)9-7-12/h6-9,14H,1-5,10-11H2

InChi Info:

AuxInfo=1/0/N:12,11,13,10,14,1,5,2,4,17,7,6,3,9,15,18,19,8,16/E:(2,3)(4,5)(6,7)(8,9)/rA:19nCCCCCCCNCCCCCCCOCClF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s9s13;s8;d15;s15;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₉ClFNO
All Atoms:	38
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	7.98744
Area:	454.407
Solvation:	-3.37274
Coulombic:	-20.9936

Bond Count [?]

All:	20
Single:	16
Double:	4
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.79
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