(E)-3-(5-phenylfuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C28H18N2OS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(5-phenylfuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(5-phenylfuran-2-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C28H18N2OS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2-c2ccccc2)cs1)=C\c1ccc(-c2ccccc2)o1
InChI	InChI=1S/C28H18N2OS/c29-18-24(17-25-15-16-27(31-25)23-9-5-2-6-10-23)28-30-26(19-32-28)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h1-17,19H
InChIK	HRJKWOBCVNKXFF-UHFFFAOYSA-N
TotalMolweight	430.53
Molweight	430.53
MonoisotopicMass	430.113983
CLogP	6.511
CLogS	-7.983
H Acceptors	3
TotalSurfaceArea	343.11
Relative PSA	0.17196
PolarSurfaceArea	78.06
Druglikeness	-0.71337
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

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