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Chemical ID: 4157700
Chemical ID:
4157700
Name [?]:
(4-oxo-3-phenyl-chromen-7-yl) 3-phenylprop-2-enoate
SMILES [?]:
c1ccc(cc1)C=CC(=O)Oc2ccc3c(c2)occ(c3=O)c4ccccc4
InChi [?]:
InChI=1/C24H16O4/c25-23(14-11-17-7-3-1-4-8-17)28-19-12-13-20-22(15-19)27-16-21(24(20)26)18-9-5-2-6-10-18/h1-16H
InChi Info:
AuxInfo=1/0/N:1,26,2,6,25,27,3,5,24,28,7,13,14,8,17,19,4,23,12,15,20,16,9,21,10,22,18,11/E:(3,4)(5,6)(7,8)(9,10)/rA:28nCCCCCCCCCOOCCCCCCOCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;s15s20;d21;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H16O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9961 |
Area: | 575.118 |
Solvation: | -3.38187 |
Coulombic: | -38.0812 |
Bond Count [?]
All: | 31 |
Single: | 18 |
Double: | 13 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 368.381 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.31 |
LogP (Chemaxon): | 5.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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