(E)-3-(4-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one

Formula:C18H18N3OCl Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-(4-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
MolecularFormula	C18H18N3OCl
Smiles	O=C(/C=C/c(cc1)ccc1Cl)N(CC1)CCN1c1ncccc1
InChI	InChI=1S/C18H18ClN3O/c19-16-7-4-15(5-8-16)6-9-18(23)22-13-11-21(12-14-22)17-3-1-2-10-20-17/h1-10H,11-14H2
InChIK	JNANFNHQVQSCER-UHFFFAOYSA-N
TotalMolweight	327.814
Molweight	327.814
MonoisotopicMass	327.113839
CLogP	3.2242
CLogS	-3.509
H Acceptors	4
TotalSurfaceArea	253.59
Relative PSA	0.12268
PolarSurfaceArea	36.44
Druglikeness	5.51
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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