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Chemical ID: 4903290

CCOC(=O)c1ccc(cc1)Oc2coc3cc(ccc3c2=O)OCc4c(cccc4Cl)F

Chemical ID:

4903290

Name [?]:

ethyl 4-[7-[(2-chloro-6-fluoro-phenyl)methoxy]-4-oxo-chromen-3-yl]oxybenzoate

SMILES [?]:

CCOC(=O)c1ccc(cc1)Oc2coc3cc(ccc3c2=O)OCc4c(cccc4Cl)F

InChi [?]:

InChI=1/C25H18ClFO6/c1-2-30-25(29)15-6-8-16(9-7-15)33-23-14-32-22-12-17(10-11-18(22)24(23)28)31-13-19-20(26)4-3-5-21(19)27/h3-12,14H,2,13H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,29,30,28,7,11,8,10,19,20,17,25,14,6,9,18,21,26,31,27,16,13,22,4,32,33,23,5,3,24,15,12/E:(6,7)(8,9)/rA:33nCCOCOCCCCCCOCCOCCCCCCCOOCCCCCCCClF/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;s15;s16;d17;s18;d19;d16s20;s13s21;d22;s18;s24;s25;s26;d27;s28;d29;d26s30;s31;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₈ClFO₆
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3868
Area:	692.327
Solvation:	-5.92135
Coulombic:	-56.4869

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	468.858
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	6.25
LogP (Chemaxon):	5.67

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value