(Z)-3-naphthalen-1-yl-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C25H14N2O2S Mutagenic:none Tumorigenic:high Reproductive Effective:low (Z)-3-naphthalen-1-yl-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-naphthalen-1-yl-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C25H14N2O2S
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C/c1cccc2ccccc12
InChI	InChI=1S/C25H14N2O2S/c26-14-19(12-17-9-5-8-16-6-1-3-10-20(16)17)24-27-22(15-30-24)21-13-18-7-2-4-11-23(18)29-25(21)28/h1-13,15H
InChIK	GJENEKJTGINARS-UHFFFAOYSA-N
TotalMolweight	406.464
Molweight	406.464
MonoisotopicMass	406.077598
CLogP	4.5041
CLogS	-6
H Acceptors	4
TotalSurfaceArea	307.46
Relative PSA	0.22094
PolarSurfaceArea	91.22
Druglikeness	-1.2867
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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