Chemical ID: 4882968

c1cc(c(c(c1)Cl)C=CC(=O)c2ccc(cc2)O)F
Chemical ID:
4882968
Name [?]:
3-(2-chloro-6-fluoro-phenyl)-1-(4-hydroxyphenyl)-prop-2-en-1-one
SMILES [?]:
c1cc(c(c(c1)Cl)C=CC(=O)c2ccc(cc2)O)F
InChi [?]:
InChI=1/C15H10ClFO2/c16-13-2-1-3-14(17)12(13)8-9-15(19)10-4-6-11(18)7-5-10/h1-9,18H
InChi Info:
AuxInfo=1/0/N:1,6,2,13,17,14,16,8,9,12,15,4,5,3,10,7,19,18,11/E:(4,5)(6,7)/rA:19nCCCCCCClCCCOCCCCCCOF/rB:s1;d2;s3;d4;d1s5;s5;s4;w8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10ClFO2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.52694
Area:439.612
Solvation:-3.46336
Coulombic:-30.4236
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:276.69
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.22
LogP (Chemaxon):4.39

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