(E)-3-(furan-2-yl)-2-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C22H14N2O2S Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-3-(furan-2-yl)-2-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-2-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C22H14N2O2S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2Oc2ccccc2)cs1)=C\c1ccco1
InChI	InChI=1S/C22H14N2O2S/c23-14-17(13-20-7-4-12-25-20)22-24-21(15-27-22)16-8-10-19(11-9-16)26-18-5-2-1-3-6-18/h1-13,15H
InChIK	PFTZKDZKCQTRDM-UHFFFAOYSA-N
TotalMolweight	370.431
Molweight	370.431
MonoisotopicMass	370.077598
CLogP	4.4972
CLogS	-6.416
H Acceptors	4
TotalSurfaceArea	293.35
Relative PSA	0.23521
PolarSurfaceArea	87.29
Druglikeness	-1.9922
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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