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Chemical ID: 7039343
Chemical ID:
7039343
Name [?]:
[4-[3-(4-fluorophenyl)prop-2-enoyl]phenyl] 3-phenylprop-2-enoate
SMILES [?]:
c1ccc(cc1)C=CC(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc(cc3)F
InChi [?]:
InChI=1/C24H17FO3/c25-21-12-6-19(7-13-21)8-16-23(26)20-10-14-22(15-11-20)28-24(27)17-9-18-4-2-1-3-5-18/h1-17H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,23,27,21,7,14,16,24,26,13,17,20,8,4,22,15,25,12,18,9,28,19,10,11/E:(2,3)(4,5)(6,7)(10,11)(12,13)(14,15)/rA:28nCCCCCCCCCOOCCCCCCCOCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;w20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H17FO3 |
All Atoms: | 45 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4982 |
Area: | 624.032 |
Solvation: | -4.10262 |
Coulombic: | -35.146 |
Bond Count [?]
All: | 30 |
Single: | 17 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 2 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 372.388 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.78 |
LogP (Chemaxon): | 5.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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