3-[4-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile

Formula:C21H19N5O4S Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[4-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile is a drug-like molecule.

MolName	3-[4-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-yl]propanenitrile
MolecularFormula	C21H19N5O4S
Smiles	N#CCCN(CC1)CCN1C(S/C1=C\c2ccc(-c(cccc3)c3[N+]([O-])=O)o2)=NC1=O
InChI	InChI=1S/C21H19N5O4S/c22-8-3-9-24-10-12-25(13-11-24)21-23-20(27)19(31-21)14-15-6-7-18(30-15)16-4-1-2-5-17(16)26(28)29/h1-2,4-7,14H,3,9-13H2
InChIK	ZYOPOHOOBBENGU-UHFFFAOYSA-N
TotalMolweight	437.479
Molweight	437.479
MonoisotopicMass	437.115775
CLogP	0.8325
CLogS	-5.05
H Acceptors	9
TotalSurfaceArea	327.17
Relative PSA	0.32775
PolarSurfaceArea	143.96
Druglikeness	-3.2004
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	9
Symmetricatoms	2
Amines	1
AlkylAmines	1
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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