4-chloro-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phenol

Formula:C20H23N2OCl Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-chloro-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phenol is a drug-like molecule.

MolName	4-chloro-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]phenol
MolecularFormula	C20H23N2OCl
Smiles	Oc(cc1)c(CN2CCN(C/C=C/c3ccccc3)CC2)cc1Cl
InChI	InChI=1S/C20H23ClN2O/c21-19-8-9-20(24)18(15-19)16-23-13-11-22(12-14-23)10-4-7-17-5-2-1-3-6-17/h1-9,15,24H,10-14,16H2
InChIK	RXGURCUANJMKCF-UHFFFAOYSA-N
TotalMolweight	342.869
Molweight	342.869
MonoisotopicMass	342.14989
CLogP	3.8005
CLogS	-2.979
H Acceptors	3
H Donors	1
TotalSurfaceArea	270.95
Relative PSA	0.074553
PolarSurfaceArea	26.71
Druglikeness	6.3465
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.66667
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	9
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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