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

Formula:C18H10N3O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)prop-2-enenitrile
MolecularFormula	C18H10N3O2FS
Smiles	N#C/C(/c1nc(-c(cc2)ccc2F)cs1)=C\c(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C18H10FN3O2S/c19-15-5-3-13(4-6-15)17-11-25-18(21-17)14(10-20)9-12-1-7-16(8-2-12)22(23)24/h1-9,11H
InChIK	PNVFHHAQSYJROO-UHFFFAOYSA-N
TotalMolweight	351.36
Molweight	351.36
MonoisotopicMass	351.047775
CLogP	3.0921
CLogS	-5.211
H Acceptors	5
TotalSurfaceArea	263.92
Relative PSA	0.28535
PolarSurfaceArea	110.74
Druglikeness	-8.1395
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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