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Chemical ID: 6874899

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OCc4c(cccc4Cl)F

Chemical ID:

6874899

Name [?]:

3-[(2-chloro-6-fluoro-phenyl)methoxy]-2-(4-chlorophenyl)-6-methyl-chromen-4-one

SMILES [?]:

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OCc4c(cccc4Cl)F

InChi [?]:

InChI=1/C23H15Cl2FO3/c1-13-5-10-20-16(11-13)21(27)23(22(29-20)14-6-8-15(24)9-7-14)28-12-17-18(25)3-2-4-19(17)26/h2-11H,12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,25,26,24,3,14,18,15,17,4,7,21,2,13,16,6,22,27,23,5,8,11,10,19,28,29,9,20,12/E:(6,7)(8,9)/rA:29nCCCCCCCCOCCOCCCCCCClOCCCCCCCClF/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;s27;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₅Cl₂FO₃
All Atoms:	44
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0478
Area:	587.717
Solvation:	-3.64514
Coulombic:	-32.8569

Bond Count [?]

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

Chemical Properties

Molecular Weight:	429.267
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	7.42
LogP (Chemaxon):	6.79

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