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Chemical ID: 4582759

c1ccc2c(c1)cc(c(=O)o2)c3cc(=O)oc4c3ccc(c4)OCc5ccc(cc5F)F

Chemical ID:

4582759

Name [?]:

7-[(2,4-difluorophenyl)methoxy]-4-(2-oxochromen-3-yl)-chromen-2-one

SMILES [?]:

c1ccc2c(c1)cc(c(=O)o2)c3cc(=O)oc4c3ccc(c4)OCc5ccc(cc5F)F

InChi [?]:

InChI=1/C25H14F2O5/c26-16-6-5-15(21(27)10-16)13-30-17-7-8-18-19(12-24(28)31-23(18)11-17)20-9-14-3-1-2-4-22(14)32-25(20)29/h1-12H,13H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,26,27,20,19,7,29,22,13,24,5,25,28,21,18,12,8,30,4,17,14,9,32,31,15,10,23,16,11/rA:32nCCCCCCCCCOOCCCOOCCCCCCOCCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;s8;d12;s13;d14;s14;s16;s12s17;d18;s19;d20;d17s21;s21;s23;s24;s25;d26;s27;d28;d25s29;s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₄F₂O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	9.51348
Area:	622.305
Solvation:	-6.04416
Coulombic:	-53.0763

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	432.372
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	5.25
LogP (Chemaxon):	5.67

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