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Chemical ID: 7039322
Chemical ID:
7039322
Name [?]:
[2-[3-oxo-3-(p-tolyl)prop-1-enyl]phenyl] 3-phenylprop-2-enoate
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2ccccc2OC(=O)C=Cc3ccccc3
InChi [?]:
InChI=1/C25H20O3/c1-19-11-14-21(15-12-19)23(26)17-16-22-9-5-6-10-24(22)28-25(27)18-13-20-7-3-2-4-8-20/h2-18H,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,14,15,24,28,13,16,3,7,22,4,6,11,10,21,2,23,5,12,8,17,19,9,20,18/E:(3,4)(7,8)(11,12)(14,15)/rA:28nCCCCCCCCOCCCCCCCCOCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s17;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: | 12.5042 |
Area: | 627.569 |
Solvation: | -3.185 |
Coulombic: | -32.4443 |
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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