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

Formula:C25H16N4OS Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-3-(1,3-diphenylpyrazol-4-yl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(1,3-diphenylpyrazol-4-yl)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C25H16N4OS
Smiles	N#C/C(/c1nc(-c2ccco2)cs1)=C\c1cn(-c2ccccc2)nc1-c1ccccc1
InChI	InChI=1S/C25H16N4OS/c26-15-19(25-27-22(17-31-25)23-12-7-13-30-23)14-20-16-29(21-10-5-2-6-11-21)28-24(20)18-8-3-1-4-9-18/h1-14,16-17H
InChIK	FVPOIOQYGBJAAD-UHFFFAOYSA-N
TotalMolweight	420.495
Molweight	420.495
MonoisotopicMass	420.104481
CLogP	4.0576
CLogS	-5.3
H Acceptors	5
TotalSurfaceArea	331.07
Relative PSA	0.2321
PolarSurfaceArea	95.88
Druglikeness	0.060956
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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