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

Formula:C22H12N3O3FS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C22H12N3O3FS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2F)cs1)=C\c1ccc(-c(cc2)ccc2[N+]([O-])=O)o1
InChI	InChI=1S/C22H12FN3O3S/c23-17-5-1-14(2-6-17)20-13-30-22(25-20)16(12-24)11-19-9-10-21(29-19)15-3-7-18(8-4-15)26(27)28/h1-11,13H
InChIK	MTTQAHOTRYONMO-UHFFFAOYSA-N
TotalMolweight	417.419
Molweight	417.419
MonoisotopicMass	417.05834
CLogP	4.031
CLogS	-6.671
H Acceptors	6
TotalSurfaceArea	313.37
Relative PSA	0.28535
PolarSurfaceArea	123.88
Druglikeness	-7.1052
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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