2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone

Formula:C21H23N2O2Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone is a drug-like molecule.

MolName	2-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone
MolecularFormula	C21H23N2O2Cl2
Smiles	O=C(COc(ccc(Cl)c1)c1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C21H22Cl2N2O2/c22-18-8-9-20(19(23)15-18)27-16-21(26)25-13-11-24(12-14-25)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2/p+1
InChIK	KFIPIVJBBIZMNX-UHFFFAOYSA-O
TotalMolweight	406.332
Molweight	406.332
MonoisotopicMass	405.113657
CLogP	2.2998
CLogS	-3.92
H Acceptors	4
H Donors	1
TotalSurfaceArea	321.81
Relative PSA	0.13729
PolarSurfaceArea	33.98
Druglikeness	2.9498
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.7037
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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