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

Formula:C16H9N3O3S Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(furan-2-yl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C16H9N3O3S
Smiles	N#C/C(/c1nc(-c2cc([N+]([O-])=O)ccc2)cs1)=C\c1ccco1
InChI	InChI=1S/C16H9N3O3S/c17-9-12(8-14-5-2-6-22-14)16-18-15(10-23-16)11-3-1-4-13(7-11)19(20)21/h1-8,10H
InChIK	HGJKITWRBUFWPR-UHFFFAOYSA-N
TotalMolweight	323.331
Molweight	323.331
MonoisotopicMass	323.036462
CLogP	2.18
CLogS	-4.579
H Acceptors	6
TotalSurfaceArea	247.26
Relative PSA	0.36164
PolarSurfaceArea	123.88
Druglikeness	-6.9968
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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