Chemical ID: 5781471

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc(cc3)F
Chemical ID:
5781471
Name [?]:
[4-[3-(4-fluorophenyl)prop-2-enoyl]phenyl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc(cc3)F
InChi [?]:
InChI=1/C23H17FO3/c1-16-2-7-19(8-3-16)23(26)27-21-13-9-18(10-14-21)22(25)15-6-17-4-11-20(24)12-5-17/h2-15H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,22,26,20,4,6,13,15,23,25,12,16,19,2,21,14,5,24,11,17,8,27,18,9,10/E:(2,3)(4,5)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCCOOCCCCCCCOCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;w19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17FO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.9119
Area:584.141
Solvation:-3.69165
Coulombic:-34.9428
Bond Count [?]
All:29
Single:17
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:360.378
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.95
LogP (Chemaxon):5.85

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Descriptor Annotations

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