Chemical ID: 7352203

COc1ccc2c(cc(=O)oc2c1)c3cc4ccc(cc4oc3=O)OCc5c(cccc5F)F
Chemical ID:
7352203
Name [?]:
4-[7-[(2,6-difluorophenyl)methoxy]-2-oxo-chromen-3-yl]-7-methoxy-chromen-2-one
SMILES [?]:
COc1ccc2c(cc(=O)oc2c1)c3cc4ccc(cc4oc3=O)OCc5c(cccc5F)F
InChi [?]:
InChI=1/C26H16F2O6/c1-31-15-7-8-17-18(12-25(29)33-24(17)10-15)19-9-14-5-6-16(11-23(14)34-26(19)30)32-13-20-21(27)3-2-4-22(20)28/h2-12H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,30,29,31,17,18,4,5,15,13,20,8,26,16,3,19,6,7,14,27,28,32,21,12,9,23,34,33,10,24,2,25,11,22/E:(3,4)(21,22)(27,28)/rA:34nCOCCCCCCCOOCCCCCCCCCCOCOOCCCCCCCFF/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s9;d6s11;d3s12;s7;d14;s15;s16;d17;s18;d19;d16s20;s21;s14s22;d23;s19;s25;s26;s27;d28;s29;d30;d27s31;s32;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H16F2O6
All Atoms:50
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:8.46029
Area:657.769
Solvation:-7.98392
Coulombic:-58.5613
Bond Count [?]
All:38
Single:25
Double:13
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:462.398
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.16
LogP (Chemaxon):5.41

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Experimental Annotations

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Descriptor Annotations

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