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

Formula:C22H13N2OBrS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(4-bromophenyl)furan-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[5-(4-bromophenyl)furan-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C22H13N2OBrS
Smiles	N#C/C(/c1nc(-c2ccccc2)cs1)=C\c1ccc(-c(cc2)ccc2Br)o1
InChI	InChI=1S/C22H13BrN2OS/c23-18-8-6-16(7-9-18)21-11-10-19(26-21)12-17(13-24)22-25-20(14-27-22)15-4-2-1-3-5-15/h1-12,14H
InChIK	DDHUELMHLUFOLR-UHFFFAOYSA-N
TotalMolweight	433.328
Molweight	433.328
MonoisotopicMass	431.993194
CLogP	5.577
CLogS	-6.731
H Acceptors	3
TotalSurfaceArea	301.98
Relative PSA	0.19538
PolarSurfaceArea	78.06
Druglikeness	-2.5034
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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