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Chemical ID: 7698586

Cc1c(c2cc(c3ccccc3c2n1Cc4ccc(cc4)OC)O)C(=O)OCCOC

Chemical ID:

7698586

Name [?]:

None

SMILES [?]:

Cc1c(c2cc(c3ccccc3c2n1Cc4ccc(cc4)OC)O)C(=O)OCCOC

InChi [?]:

InChI=1/C25H25NO5/c1-16-23(25(28)31-13-12-29-2)21-14-22(27)19-6-4-5-7-20(19)24(21)26(16)15-17-8-10-18(30-3)11-9-17/h4-11,14,27H,12-13,15H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,31,23,9,10,8,11,17,21,18,20,29,28,5,15,2,16,19,7,12,4,6,3,13,25,14,24,26,30,22,27/E:(8,9)(10,11)/rA:31nCCCCCCCCCCCCCNCCCCCCCOCOCOOCCOC/rB:s1;d2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;d4s12;s2s13;s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s6;s3;d25;s25;s27;s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₅NO₅
All Atoms:	56
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	9.66576
Area:	641.888
Solvation:	-6.38144
Coulombic:	-57.6576

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.86
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