ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7352822

Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc4cccc(c4)OC)oc5c3CCCC5

Chemical ID:

7352822

Name [?]:

None

SMILES [?]:

Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCc4cccc(c4)OC)oc5c3CCCC5

InChi [?]:

InChI=1/C26H25NO5/c1-15-19-11-21-18-8-3-4-9-22(18)31-24(21)13-23(19)32-26(29)20(15)12-25(28)27-14-16-6-5-7-17(10-16)30-2/h5-7,10-11,13H,3-4,8-9,12,14H2,1-2H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,25,30,31,20,19,21,29,32,23,4,13,7,17,2,18,22,28,3,12,5,27,8,6,14,10,16,15,11,24,26,9/rA:32nCCCCCCCCOCOCCCONCCCCCCCOCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;d2s10;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s6;s26;s5d27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅NO₅
All Atoms:	57
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	10.7414
Area:	659.232
Solvation:	-5.73941
Coulombic:	-52.9006

Bond Count [?]

All:	36
Single:	26
Double:	10
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.69
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