(E)-3-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enenitrile

Formula:C12H14N4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enenitrile
MolecularFormula	C12H14N4
Smiles	N#C/C=C/N(CC1)CCN1c1ncccc1
InChI	InChI=1S/C12H14N4/c13-5-3-7-15-8-10-16(11-9-15)12-4-1-2-6-14-12/h1-4,6-7H,8-11H2
InChIK	NUSHGBRUQQZNKX-UHFFFAOYSA-N
TotalMolweight	214.271
Molweight	214.271
MonoisotopicMass	214.121846
CLogP	0.6484
CLogS	-1.893
H Acceptors	4
TotalSurfaceArea	182.37
Relative PSA	0.17344
PolarSurfaceArea	43.16
Druglikeness	0.57
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.75
Fragments	1
Non HAtoms	16
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	2
StereoCon

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