(E)-3-(3-nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Formula:C17H17N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(3-nitrophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one
MolecularFormula	C17H17N5O3
Smiles	[O-][N+](c1cc(/C=C/C(N(CC2)CCN2c2ncccn2)=O)ccc1)=O
InChI	InChI=1S/C17H17N5O3/c23-16(6-5-14-3-1-4-15(13-14)22(24)25)20-9-11-21(12-10-20)17-18-7-2-8-19-17/h1-8,13H,9-12H2
InChIK	ZJZKPTSPXRGHPS-UHFFFAOYSA-N
TotalMolweight	339.354
Molweight	339.354
MonoisotopicMass	339.13314
CLogP	1.1524
CLogS	-2.77
H Acceptors	8
TotalSurfaceArea	260.6
Relative PSA	0.2782
PolarSurfaceArea	95.15
Druglikeness	0.35903
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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