ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7644257

Chemical ID:

7644257

Name [?]:

None

SMILES [?]:

c1ccc(cc1)CNCC2COc3ccc4c(c3O2)CC(=O)N4

InChi [?]:

InChI=1/C18H18N2O3/c21-17-8-14-15(20-17)6-7-16-18(14)23-13(11-22-16)10-19-9-12-4-2-1-3-5-12/h1-7,13,19H,8-11H2,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,15,14,20,7,9,11,4,10,17,16,13,21,18,8,23,22,12,19/E:(2,3)(4,5)/rA:23cCCCCCCCNCCCOCCCCCCOCCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s10s18;s17;s20;d21;s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈N₂O₃
All Atoms:	41
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	8.97562
Area:	516.91
Solvation:	-3.94712
Coulombic:	-45.8631

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.76
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