(E)-2-(1,3-benzoxazol-2-yl)-3-[5-(2-chlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one

Formula:C26H16NO3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(1,3-benzoxazol-2-yl)-3-[5-(2-chlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-2-(1,3-benzoxazol-2-yl)-3-[5-(2-chlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
MolecularFormula	C26H16NO3Cl
Smiles	O=C(/C(/c1nc(cccc2)c2o1)=C/c1ccc(-c(cccc2)c2Cl)o1)c1ccccc1
InChI	InChI=1S/C26H16ClNO3/c27-21-11-5-4-10-19(21)23-15-14-18(30-23)16-20(25(29)17-8-2-1-3-9-17)26-28-22-12-6-7-13-24(22)31-26/h1-16H
InChIK	ITKBAFZKQLIQIV-UHFFFAOYSA-N
TotalMolweight	425.87
Molweight	425.87
MonoisotopicMass	425.081871
CLogP	6.0868
CLogS	-7.122
H Acceptors	4
TotalSurfaceArea	323.16
Relative PSA	0.16162
PolarSurfaceArea	56.24
Druglikeness	2.2936
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45161
Fragments	1
Non HAtoms	31
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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