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

Formula:C23H26N2O2Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one is not a drug-like molecule.

MolName	4-(2,4-dichlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
MolecularFormula	C23H26N2O2Cl2
Smiles	O=C(CCCOc(ccc(Cl)c1)c1Cl)N1CCN(C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C23H26Cl2N2O2/c24-20-10-11-22(21(25)18-20)29-17-5-9-23(28)27-15-13-26(14-16-27)12-4-8-19-6-2-1-3-7-19/h1-4,6-8,10-11,18H,5,9,12-17H2
InChIK	UQHWLXBZGSUNKG-UHFFFAOYSA-N
TotalMolweight	433.377
Molweight	433.377
MonoisotopicMass	432.137132
CLogP	5.3183
CLogS	-4.46
H Acceptors	4
TotalSurfaceArea	335.29
Relative PSA	0.089892
PolarSurfaceArea	32.78
Druglikeness	3.7389
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.72414
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	4
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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