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Chemical ID: 5268655

CCOc1ccccc1Oc2coc3cc(ccc3c2=O)OCc4ccc(c(c4)Cl)Cl

Chemical ID:

5268655

Name [?]:

7-[(3,4-dichlorophenyl)methoxy]-3-(2-ethoxyphenoxy)-chromen-4-one

SMILES [?]:

CCOc1ccccc1Oc2coc3cc(ccc3c2=O)OCc4ccc(c(c4)Cl)Cl

InChi [?]:

InChI=1/C24H18Cl2O5/c1-2-28-20-5-3-4-6-21(20)31-23-14-30-22-12-16(8-9-17(22)24(23)27)29-13-15-7-10-18(25)19(26)11-15/h3-12,14H,2,13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,6,7,5,8,25,17,18,26,29,15,23,12,24,16,19,27,28,4,9,14,11,20,31,30,21,3,22,13,10/rA:31nCCOCCCCCCOCCOCCCCCCCOOCCCCCCCClCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;d20;s16;s22;s23;s24;d25;s26;d27;d24s28;s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₈Cl₂O₅
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8229
Area:	680.023
Solvation:	-6.17771
Coulombic:	-41.309

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	457.302
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	6.42
LogP (Chemaxon):	6.25

Name Annotations

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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