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Chemical ID: 7039247
Chemical ID:
7039247
Name [?]:
[2-(3-oxo-3-phenyl-prop-1-enyl)phenyl] 3-phenylprop-2-enoate
SMILES [?]:
c1ccc(cc1)C=CC(=O)Oc2ccccc2C=CC(=O)c3ccccc3
InChi [?]:
InChI=1/C24H18O3/c25-22(20-11-5-2-6-12-20)17-16-21-13-7-8-14-23(21)27-24(26)18-15-19-9-3-1-4-10-19/h1-18H
InChi Info:
AuxInfo=1/0/N:1,25,2,6,24,26,15,14,3,5,23,27,16,13,7,18,19,8,4,22,17,20,12,9,21,10,11/E:(3,4)(5,6)(9,10)(11,12)/rA:27nCCCCCCCCCOOCCCCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;w18;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18O3 |
All Atoms: | 45 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0142 |
Area: | 607.33 |
Solvation: | -3.16906 |
Coulombic: | -32.6947 |
Bond Count [?]
All: | 29 |
Single: | 16 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 2 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 354.398 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.62 |
LogP (Chemaxon): | 5.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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