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Chemical ID: 6874898

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OCc4ccc(c(c4)Cl)Cl

Chemical ID:

6874898

Name [?]:

2-(4-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6-methyl-chromen-4-one

SMILES [?]:

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OCc4ccc(c(c4)Cl)Cl

InChi [?]:

InChI=1/C23H15Cl3O3/c1-13-2-9-20-17(10-13)21(27)23(22(29-20)15-4-6-16(24)7-5-15)28-12-14-3-8-18(25)19(26)11-14/h2-11H,12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,3,23,14,18,15,17,24,4,7,27,21,2,22,13,16,6,25,26,5,8,11,10,19,29,28,9,20,12/E:(4,5)(6,7)/rA:29nCCCCCCCCOCCOCCCCCCClOCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s10;s20;s21;s22;d23;s24;d25;d22s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₅Cl₃O₃
All Atoms:	44
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.9476
Area:	637.608
Solvation:	-2.9926
Coulombic:	-30.1609

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	445.721
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	7.88
LogP (Chemaxon):	7.16

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