(E)-3-[5-(2,6-dichlorophenyl)furan-2-yl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C25H12N2O3Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:low (E)-3-[5-(2,6-dichlorophenyl)furan-2-yl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[5-(2,6-dichlorophenyl)furan-2-yl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C25H12N2O3Cl2S
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C\c1ccc(-c(c(Cl)ccc2)c2Cl)o1
InChI	InChI=1S/C25H12Cl2N2O3S/c26-18-5-3-6-19(27)23(18)22-9-8-16(31-22)10-15(12-28)24-29-20(13-33-24)17-11-14-4-1-2-7-21(14)32-25(17)30/h1-11,13H
InChIK	VZWBCVLGJHTMDD-UHFFFAOYSA-N
TotalMolweight	491.353
Molweight	491.353
MonoisotopicMass	489.994567
CLogP	5.4606
CLogS	-7.326
H Acceptors	5
TotalSurfaceArea	353.15
Relative PSA	0.23231
PolarSurfaceArea	104.36
Druglikeness	-0.34439
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	3
Aromatic Nitrogens	1
StereoCon

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1 - (E)-3-[5-(2,6-dichlorophenyl)furan-2-yl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-[5-(2,6-dichlorophenyl)furan-2-yl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

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