5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]furan-2-carbaldehyde

Formula:C14H9O3Cl Mutagenic:high Tumorigenic:low Reproductive Effective:none 5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]furan-2-carbaldehyde is a drug-like molecule.

MolName	5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]furan-2-carbaldehyde
MolecularFormula	C14H9O3Cl
Smiles	O=Cc1ccc(C(/C=C/c(cc2)ccc2Cl)=O)o1
InChI	InChI=1S/C14H9ClO3/c15-11-4-1-10(2-5-11)3-7-13(17)14-8-6-12(9-16)18-14/h1-9H
InChIK	CBYBEYFLXVDUHZ-UHFFFAOYSA-N
TotalMolweight	260.675
Molweight	260.675
MonoisotopicMass	260.024022
CLogP	3.0858
CLogS	-4.606
H Acceptors	3
TotalSurfaceArea	201.92
Relative PSA	0.19904
PolarSurfaceArea	47.28
Druglikeness	-0.030307
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.72222
Fragments	1
Non HAtoms	18
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
StereoCon

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