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

Formula:C27H16N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:low (Z)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-phenoxyphenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-phenoxyphenyl)prop-2-enenitrile
MolecularFormula	C27H16N2O3S
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C/c1cc(Oc2ccccc2)ccc1
InChI	InChI=1S/C27H16N2O3S/c28-16-20(13-18-7-6-11-22(14-18)31-21-9-2-1-3-10-21)26-29-24(17-33-26)23-15-19-8-4-5-12-25(19)32-27(23)30/h1-15,17H
InChIK	JKEVWUXYOADCIS-UHFFFAOYSA-N
TotalMolweight	448.501
Molweight	448.501
MonoisotopicMass	448.088163
CLogP	4.7053
CLogS	-6.691
H Acceptors	5
TotalSurfaceArea	342.62
Relative PSA	0.22745
PolarSurfaceArea	100.45
Druglikeness	-1.2867
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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