ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7548597

CN1CCC23c4c5ccc(c4OC2C(C=CC3C1C5)O)OCCN6CCOCC6

Chemical ID:

7548597

Name [?]:

None

SMILES [?]:

CN1CCC23c4c5ccc(c4OC2C(C=CC3C1C5)O)OCCN6CCOCC6

InChi [?]:

InChI=1/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3

InChi Info:

AuxInfo=1/0/N:1,8,16,15,9,4,3,25,29,23,26,28,22,19,7,17,18,14,10,6,11,13,5,2,24,20,27,21,12/E:(8,9)(11,12)/rA:29cCNCCCCCCCCCOCCCCCCCOOCCNCCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;s13;s14;d15;s5s16;s2s17;s7s18;s14;s10;s21;s22;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₀N₂O₄
All Atoms:	59
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	6.50535
Area:	566.53
Solvation:	-7.65791
Coulombic:	-49.6898

Bond Count [?]

All:	34
Single:	30
Double:	4
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.53
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