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

Formula:C22H12N2OCl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C22H12N2OCl2S
Smiles	N#C/C(/c1nc(-c2ccccc2)cs1)=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChI	InChI=1S/C22H12Cl2N2OS/c23-17-8-15(9-18(24)11-17)21-7-6-19(27-21)10-16(12-25)22-26-20(13-28-22)14-4-2-1-3-5-14/h1-11,13H
InChIK	XEBXNYIZNLRQQR-UHFFFAOYSA-N
TotalMolweight	423.322
Molweight	423.322
MonoisotopicMass	422.004737
CLogP	6.0638
CLogS	-7.369
H Acceptors	3
TotalSurfaceArea	314.19
Relative PSA	0.18778
PolarSurfaceArea	78.06
Druglikeness	-0.65757
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	5
Aromatic Nitrogens	1
StereoCon

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