Chemical ID: 5781452

c1cc(ccc1C(=O)C=Cc2ccc3c(c2)OCO3)OC(=O)c4ccc(cc4)F
Chemical ID:
5781452
Name [?]:
[4-(3-benzo[1,3]dioxol-5-ylprop-2-enoyl)phenyl] 4-fluorobenzoate
SMILES [?]:
c1cc(ccc1C(=O)C=Cc2ccc3c(c2)OCO3)OC(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C23H15FO5/c24-18-7-3-17(4-8-18)23(26)29-19-9-5-16(6-10-19)20(25)11-1-15-2-12-21-22(13-15)28-14-27-21/h1-13H,14H2
InChi Info:
AuxInfo=1/0/N:10,12,24,28,1,5,25,27,2,4,9,13,16,18,11,6,23,26,3,7,14,15,21,29,8,22,19,17,20/E:(3,4)(5,6)(7,8)(9,10)/rA:29nCCCCCCCOCCCCCCCCOCOOCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;w9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14s18;s3;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H15FO5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.39726
Area:595.659
Solvation:-5.49421
Coulombic:-49.5426
Bond Count [?]
All:32
Single:20
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:390.361
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.27
LogP (Chemaxon):5.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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