1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

Formula:C26H27N2OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is not a drug-like molecule.

MolName	1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
MolecularFormula	C26H27N2OCl
Smiles	Clc(cc1)ccc1Oc1cc(CN2CCN(C/C=C/c3ccccc3)CC2)ccc1
InChI	InChI=1S/C26H27ClN2O/c27-24-11-13-25(14-12-24)30-26-10-4-8-23(20-26)21-29-18-16-28(17-19-29)15-5-9-22-6-2-1-3-7-22/h1-14,20H,15-19,21H2
InChIK	NDWYRTLQIKQBFQ-UHFFFAOYSA-N
TotalMolweight	418.966
Molweight	418.966
MonoisotopicMass	418.18119
CLogP	5.5418
CLogS	-5.572
H Acceptors	3
TotalSurfaceArea	334.36
Relative PSA	0.051142
PolarSurfaceArea	15.71
Druglikeness	6.2283
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.7
Fragments	1
Non HAtoms	30
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	9
Symmetricatoms	6
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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