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Chemical ID: 7039321
Chemical ID:
7039321
Name [?]:
[4-[3-(p-tolyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate
SMILES [?]:
Cc1ccc(cc1)C=CC(=O)c2ccc(cc2)OC(=O)C=Cc3ccccc3
InChi [?]:
InChI=1/C25H20O3/c1-19-7-9-21(10-8-19)11-17-24(26)22-13-15-23(16-14-22)28-25(27)18-12-20-5-3-2-4-6-20/h2-18H,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,24,28,3,7,4,6,8,22,13,17,14,16,9,21,2,23,5,12,15,10,19,11,20,18/E:(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:28nCCCCCCCCCCOCCCCCCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;w21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20O3 |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7636 |
Area: | 637.896 |
Solvation: | -3.18385 |
Coulombic: | -31.994 |
Bond Count [?]
All: | 30 |
Single: | 17 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 2 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 368.424 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.06 |
LogP (Chemaxon): | 6.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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