ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7683367

Chemical ID:

7683367

Name [?]:

None

SMILES [?]:

CCCOc1ccc(cc1OC)CNc2ccc(cc2)F

InChi [?]:

InChI=1/C17H20FNO2/c1-3-10-21-16-9-4-13(11-17(16)20-2)12-19-15-7-5-14(18)6-8-15/h4-9,11,19H,3,10,12H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,12,2,7,17,19,16,20,6,3,9,13,8,18,15,5,10,21,14,11,4/E:(5,6)(7,8)/rA:21nCCCOCCCCCCOCCNCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₀FNO₂
All Atoms:	41
Heavy Atoms:	21
Chiral Atoms:	None

ZAP Information [?]

Total:	7.36945
Area:	510.639
Solvation:	-5.39652
Coulombic:	-31.0193

Bond Count [?]

All:	22
Single:	16
Double:	6
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.88
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