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

Formula:C24H14N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-2-[4-(2-oxochromen-3-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-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile
MolecularFormula	C24H14N4O2S
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C\c1c(-c2ccccc2)[nH]nc1
InChI	InChI=1S/C24H14N4O2S/c25-12-17(10-18-13-26-28-22(18)15-6-2-1-3-7-15)23-27-20(14-31-23)19-11-16-8-4-5-9-21(16)30-24(19)29/h1-11,13-14H,(H,26,28)
InChIK	KNBZKIODMVPREN-UHFFFAOYSA-N
TotalMolweight	422.467
Molweight	422.467
MonoisotopicMass	422.083746
CLogP	2.9535
CLogS	-4.745
H Acceptors	6
H Donors	1
TotalSurfaceArea	320.95
Relative PSA	0.28942
PolarSurfaceArea	119.9
Druglikeness	0.54736
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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