1-[(3,4-difluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

Formula:C20H22N2F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(3,4-difluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is a drug-like molecule.

MolName	1-[(3,4-difluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
MolecularFormula	C20H22N2F2
Smiles	Fc(ccc(CN1CCN(C/C=C/c2ccccc2)CC1)c1)c1F
InChI	InChI=1S/C20H22F2N2/c21-19-9-8-18(15-20(19)22)16-24-13-11-23(12-14-24)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2
InChIK	YMFUKNNKTMFBMH-UHFFFAOYSA-N
TotalMolweight	328.405
Molweight	328.405
MonoisotopicMass	328.175104
CLogP	3.7418
CLogS	-3.167
H Acceptors	2
TotalSurfaceArea	261.88
Relative PSA	0.027112
PolarSurfaceArea	6.48
Druglikeness	5.2315
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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