Chemical ID: 7047856

Cc1ccc(cc1)C(=O)Oc2ccc3c(c2)OC(=Cc4ccccc4)C3=O
Chemical ID:
7047856
Name [?]:
(2-benzylidene-3-oxo-benzofuran-6-yl) 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc3c(c2)OC(=Cc4ccccc4)C3=O
InChi [?]:
InChI=1/C23H16O4/c1-15-7-9-17(10-8-15)23(25)26-18-11-12-19-20(14-18)27-21(22(19)24)13-16-5-3-2-4-6-16/h2-14H,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,24,21,25,3,7,4,6,12,13,19,16,2,20,5,11,14,15,18,26,8,27,9,10,17/E:(3,4)(5,6)(7,8)(9,10)/rA:27nCCCCCCCCOOCCCCCCOCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s14s18;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16O4
All Atoms:43
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.9343
Area:582.355
Solvation:-2.62459
Coulombic:-40.112
Bond Count [?]
All:30
Single:18
Double:12
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:356.371
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.57
LogP (Chemaxon):5.03

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Descriptor Annotations

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