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Chemical ID: 6879693

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

Chemical ID:

6879693

Name [?]:

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

SMILES [?]:

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

InChi [?]:

InChI=1/C24H18ClFO4/c1-14-6-11-21-17(12-14)22(27)24(29-13-18-19(25)4-3-5-20(18)26)23(30-21)15-7-9-16(28-2)10-8-15/h3-12H,13H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,26,27,25,3,14,18,15,17,4,7,22,2,13,16,6,23,28,24,5,8,11,10,29,30,9,19,21,12/E:(7,8)(9,10)/rA:30nCCCCCCCCOCCOCCCCCCOCOCCCCCCCClF/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;s28;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₈ClFO₄
All Atoms:	48
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	9.70323
Area:	590.713
Solvation:	-5.06459
Coulombic:	-38.9021

Bond Count [?]

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

Chemical Properties

Molecular Weight:	424.848
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	6.72
LogP (Chemaxon):	6.02

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