[3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] thiophene-2-carboxylate

Formula:C26H18O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.

MolName	[3-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] thiophene-2-carboxylate
MolecularFormula	C26H18O3S
Smiles	O=C(/C=C/c1cccc(OC(c2cccs2)=O)c1)c(cc1)ccc1-c1ccccc1
InChI	InChI=1S/C26H18O3S/c27-24(22-14-12-21(13-15-22)20-7-2-1-3-8-20)16-11-19-6-4-9-23(18-19)29-26(28)25-10-5-17-30-25/h1-18H
InChIK	SKQPYJLXIDKXKD-UHFFFAOYSA-N
TotalMolweight	410.492
Molweight	410.492
MonoisotopicMass	410.097665
CLogP	6.2601
CLogS	-7.406
H Acceptors	3
TotalSurfaceArea	320.48
Relative PSA	0.17611
PolarSurfaceArea	71.61
Druglikeness	2.6454
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	4
StereoCon

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