[2-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 4-fluorobenzoate

Formula:C22H14O3ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 4-fluorobenzoate is not a drug-like molecule.

MolName	[2-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 4-fluorobenzoate
MolecularFormula	C22H14O3ClF
Smiles	O=C(/C=C/c(cccc1)c1OC(c(cc1)ccc1F)=O)c(cc1)ccc1Cl
InChI	InChI=1S/C22H14ClFO3/c23-18-10-5-15(6-11-18)20(25)14-9-16-3-1-2-4-21(16)27-22(26)17-7-12-19(24)13-8-17/h1-14H
InChIK	MIQPDGPXJAMBIV-UHFFFAOYSA-N
TotalMolweight	380.801
Molweight	380.801
MonoisotopicMass	380.06155
CLogP	5.4411
CLogS	-6.36
H Acceptors	3
TotalSurfaceArea	286.55
Relative PSA	0.12591
PolarSurfaceArea	43.37
Druglikeness	-1.1581
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	4
StereoCon

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