Chemical ID: 7039322

Cc1ccc(cc1)C(=O)C=Cc2ccccc2OC(=O)C=Cc3ccccc3
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

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