Chemical ID: 7432074

c1ccc(cc1)COc2ccc3cc(c(=O)oc3c2)c4ccc(cc4)F
Chemical ID:
7432074
Name [?]:
7-benzyloxy-3-(4-fluorophenyl)-chromen-2-one
SMILES [?]:
c1ccc(cc1)COc2ccc3cc(c(=O)oc3c2)c4ccc(cc4)F
InChi [?]:
InChI=1/C22H15FO3/c23-18-9-6-16(7-10-18)20-12-17-8-11-19(13-21(17)26-22(20)24)25-14-15-4-2-1-3-5-15/h1-13H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,21,25,11,22,24,10,13,19,7,4,20,12,23,9,14,18,15,26,16,8,17/E:(2,3)(4,5)(6,7)(9,10)/rA:26nCCCCCCCOCCCCCCCOOCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;s12;d13;s14;d15;s15;d12s17;d9s18;s14;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15FO3
All Atoms:41
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.05029
Area:549.02
Solvation:-4.67522
Coulombic:-32.9366
Bond Count [?]
All:29
Single:18
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:346.351
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.42
LogP (Chemaxon):5.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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