Chemical ID: 5781350

c1ccc(c(c1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3cccc(c3)Cl)F
Chemical ID:
5781350
Name [?]:
[4-[3-(3-chlorophenyl)prop-2-enoyl]phenyl] 2-fluorobenzoate
SMILES [?]:
c1ccc(c(c1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3cccc(c3)Cl)F
InChi [?]:
InChI=1/C22H14ClFO3/c23-17-5-3-4-15(14-17)8-13-21(25)16-9-11-18(12-10-16)27-22(26)19-6-1-2-7-20(19)24/h1-14H
InChi Info:
AuxInfo=1/0/N:1,2,22,21,23,6,3,19,12,14,11,15,18,25,20,13,24,10,5,4,16,7,26,27,17,8,9/E:(9,10)(11,12)/rA:27nCCCCCCCOOCCCCCCCOCCCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H14ClFO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.5141
Area:588.955
Solvation:-4.20977
Coulombic:-34.2655
Bond Count [?]
All:29
Single:17
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:380.796
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.13
LogP (Chemaxon):5.9

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