(Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile

Formula:C13H9N3O3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile
MolecularFormula	C13H9N3O3S
Smiles	N#C/C(/c1nc(C2CC2)cs1)=C/c1ccc([N+]([O-])=O)o1
InChI	InChI=1S/C13H9N3O3S/c14-6-9(5-10-3-4-12(19-10)16(17)18)13-15-11(7-20-13)8-1-2-8/h3-5,7-8H,1-2H2
InChIK	WNSSSNMBILXXBL-UHFFFAOYSA-N
TotalMolweight	287.298
Molweight	287.298
MonoisotopicMass	287.036462
CLogP	1.946
CLogS	-4.307
H Acceptors	6
TotalSurfaceArea	214.02
Relative PSA	0.41781
PolarSurfaceArea	123.88
Druglikeness	-4.3298
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	4
Symmetricatoms	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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