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Chemical ID: 6847188

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)c4ccc(cc4Cl)Cl)C

Chemical ID:

6847188

Name [?]:

3-[2-(2,4-dichlorophenyl)-2-oxo-ethoxy]-2-(2-furyl)-6,8-dimethyl-chromen-4-one

SMILES [?]:

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccco3)OCC(=O)c4ccc(cc4Cl)Cl)C

InChi [?]:

InChI=1/C23H16Cl2O5/c1-12-8-13(2)21-16(9-12)20(27)23(22(30-21)19-4-3-7-28-19)29-11-18(26)15-6-5-14(24)10-17(15)25/h3-10H,11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,30,15,14,24,23,16,3,7,26,19,2,4,25,22,6,27,20,13,8,5,11,10,29,28,21,9,17,18,12/rA:30nCCCCCCCCOCCOCCCCOOCCOCCCCCCClClC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s14;d15;s13s16;s10;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₆Cl₂O₅
All Atoms:	46
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	9.71155
Area:	637.716
Solvation:	-6.23134
Coulombic:	-40.2435

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	443.276
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	5.8
LogP (Chemaxon):	5.35

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