(E)-1-(4-benzhydrylpiperazin-1-yl)-3-(2,6-dichlorophenyl)prop-2-en-1-one

Formula:C26H24N2OCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-benzhydrylpiperazin-1-yl)-3-(2,6-dichlorophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-(4-benzhydrylpiperazin-1-yl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
MolecularFormula	C26H24N2OCl2
Smiles	O=C(/C=C/c(c(Cl)ccc1)c1Cl)N(CC1)CCN1C(c1ccccc1)c1ccccc1
InChI	InChI=1S/C26H24Cl2N2O/c27-23-12-7-13-24(28)22(23)14-15-25(31)29-16-18-30(19-17-29)26(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-15,26H,16-19H2
InChIK	PWEJUDUQYWJGSP-UHFFFAOYSA-N
TotalMolweight	451.396
Molweight	451.396
MonoisotopicMass	450.126567
CLogP	6.1184
CLogS	-5.253
H Acceptors	3
TotalSurfaceArea	342.51
Relative PSA	0.058801
PolarSurfaceArea	23.55
Druglikeness	5.6404
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	13
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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