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

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

MolName	(E)-1-(4-benzhydrylpiperazin-1-yl)-3-(2,4-dichlorophenyl)prop-2-en-1-one
MolecularFormula	C26H24N2OCl2
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)N(CC1)CCN1C(c1ccccc1)c1ccccc1
InChI	InChI=1S/C26H24Cl2N2O/c27-23-13-11-20(24(28)19-23)12-14-25(31)29-15-17-30(18-16-29)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,19,26H,15-18H2
InChIK	WVGUROOSFBVFCA-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	low
Irritant	none
Nasty Functions
Shape Index	0.54839
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	10
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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