(E)-2-[4-[5-(3,5-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enenitrile

Formula:C26H14N2OCl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-[4-[5-(3,5-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-[4-[5-(3,5-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enenitrile
MolecularFormula	C26H14N2OCl2S
Smiles	N#C/C(/c1nc(-c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cs1)=C\c1cccc2ccccc12
InChI	InChI=1S/C26H14Cl2N2OS/c27-20-11-18(12-21(28)13-20)24-8-9-25(31-24)23-15-32-26(30-23)19(14-29)10-17-6-3-5-16-4-1-2-7-22(16)17/h1-13,15H
InChIK	UKWBYBBEJRMIAN-UHFFFAOYSA-N
TotalMolweight	473.382
Molweight	473.382
MonoisotopicMass	472.020387
CLogP	7.2952
CLogS	-8.643
H Acceptors	3
TotalSurfaceArea	348.79
Relative PSA	0.16916
PolarSurfaceArea	78.06
Druglikeness	-0.65757
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	26
Symmetricatoms	3
Aromatic Nitrogens	1
StereoCon

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1 - (E)-2-[4-[5-(3,5-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enenitrile | 2 - (E)-2-[4-[5-(3,5-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enenitrile

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