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Chemical ID: 6879682

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCc4ccc(cc4)Cl

Chemical ID:

6879682

Name [?]:

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

SMILES [?]:

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCc4ccc(cc4)Cl

InChi [?]:

InChI=1/C24H19ClO4/c1-15-3-12-21-20(13-15)22(26)24(28-14-16-4-8-18(25)9-5-16)23(29-21)17-6-10-19(27-2)11-7-17/h3-13H,14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,3,24,28,14,18,25,27,15,17,4,7,22,2,23,13,26,16,6,5,8,11,10,29,9,19,21,12/E:(4,5)(6,7)(8,9)(10,11)/rA:29nCCCCCCCCOCCOCCCCCCOCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₉ClO₄
All Atoms:	48
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1045
Area:	612.785
Solvation:	-4.21509
Coulombic:	-36.2636

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	406.858
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	6.56
LogP (Chemaxon):	5.88

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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