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

Formula:C22H11N2OCl3S Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-3-(4-chlorophenyl)-2-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-2-[4-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C22H11N2OCl3S
Smiles	N#C/C(/c1nc(-c2ccc(-c(ccc(Cl)c3)c3Cl)o2)cs1)=C\c(cc1)ccc1Cl
InChI	InChI=1S/C22H11Cl3N2OS/c23-15-3-1-13(2-4-15)9-14(11-26)22-27-19(12-29-22)21-8-7-20(28-21)17-6-5-16(24)10-18(17)25/h1-10,12H
InChIK	FDXNRDDSWJBSSU-UHFFFAOYSA-N
TotalMolweight	457.767
Molweight	457.767
MonoisotopicMass	455.965764
CLogP	6.7068
CLogS	-7.773
H Acceptors	3
TotalSurfaceArea	329.61
Relative PSA	0.179
PolarSurfaceArea	78.06
Druglikeness	-0.65757
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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