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

Formula:C15H17NOCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(azepan-1-yl)-3-(2,6-dichlorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(azepan-1-yl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
MolecularFormula	C15H17NOCl2
Smiles	O=C(/C=C/c(c(Cl)ccc1)c1Cl)N1CCCCCC1
InChI	InChI=1S/C15H17Cl2NO/c16-13-6-5-7-14(17)12(13)8-9-15(19)18-10-3-1-2-4-11-18/h5-9H,1-4,10-11H2
InChIK	YRSZUTDRQIGXAD-UHFFFAOYSA-N
TotalMolweight	298.212
Molweight	298.212
MonoisotopicMass	297.068718
CLogP	4.3811
CLogS	-4.327
H Acceptors	2
TotalSurfaceArea	227.71
Relative PSA	0.072856
PolarSurfaceArea	20.31
Druglikeness	-2.0511
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	6
Amides	1
StereoCon

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