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Chemical ID: 6874803

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OC(=O)C4COc5ccccc5O4

Chemical ID:

6874803

Name [?]:

[2-(4-chlorophenyl)-6-methyl-4-oxo-chromen-3-yl] 7,10-dioxabicyclo[4.4.0]deca-2,4,11-triene-8-carboxylate

SMILES [?]:

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OC(=O)C4COc5ccccc5O4

InChi [?]:

InChI=1/C25H17ClO6/c1-14-6-11-18-17(12-14)22(27)24(23(31-18)15-7-9-16(26)10-8-15)32-25(28)21-13-29-19-4-2-3-5-20(19)30-21/h2-12,21H,13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,28,29,27,30,3,14,18,15,17,4,7,24,2,13,16,6,5,26,31,23,8,11,10,21,19,9,22,25,32,12,20/E:(7,8)(9,10)/rA:32cCCCCCCCCOCCOCCCCCCClOCOCCOCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s10;s20;d21;s21;s23;s24;s25;s26;d27;s28;d29;d26s30;s23s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₇ClO₆
All Atoms:	49
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	12.0884
Area:	649.035
Solvation:	-4.13744
Coulombic:	-56.6145

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	448.852
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	6.01
LogP (Chemaxon):	5.37

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value