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Chemical ID: 4902454
Chemical ID:
4902454
Name [?]:
6-[2-(4-chlorophenyl)-2-oxo-ethoxy]-2-[(4-phenylphenyl)methylene]benzofuran-3-one
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C=C3C(=O)c4ccc(cc4O3)OCC(=O)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C29H19ClO4/c30-23-12-10-22(11-13-23)26(31)18-33-24-14-15-25-27(17-24)34-28(29(25)32)16-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h1-17H,18H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,9,11,8,12,29,33,30,32,19,18,13,21,25,10,4,7,28,31,20,17,26,22,14,15,34,27,16,24,23/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:34nCCCCCCCCCCCCCCCOCCCCCCOOCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;w13;s14;d15;s15;s17;d18;s19;d20;d17s21;s14s22;s20;s24;s25;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H19ClO4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0902 |
Area: | 717.943 |
Solvation: | -5.85841 |
Coulombic: | -35.9006 |
Bond Count [?]
All: | 38 |
Single: | 23 |
Double: | 15 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 466.911 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 7.43 |
LogP (Chemaxon): | 6.35 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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