(E)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile

Formula:C19H12N4OS Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile
MolecularFormula	C19H12N4OS
Smiles	N#C/C(/c1nc(-c2ccco2)cs1)=C\c1c(-c2ccccc2)[nH]nc1
InChI	InChI=1S/C19H12N4OS/c20-10-14(19-22-16(12-25-19)17-7-4-8-24-17)9-15-11-21-23-18(15)13-5-2-1-3-6-13/h1-9,11-12H,(H,21,23)
InChIK	AWQHGTDCVSFBBC-UHFFFAOYSA-N
TotalMolweight	344.397
Molweight	344.397
MonoisotopicMass	344.073181
CLogP	2.7824
CLogS	-4.138
H Acceptors	5
H Donors	1
TotalSurfaceArea	271.68
Relative PSA	0.30904
PolarSurfaceArea	106.74
Druglikeness	-0.058319
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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