(E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2,3-dichlorophenyl)prop-2-en-1-one

Formula:C21H21NO3Cl2S Mutagenic:none Tumorigenic:low Reproductive Effective:low (E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2,3-dichlorophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2,3-dichlorophenyl)prop-2-en-1-one
MolecularFormula	C21H21NO3Cl2S
Smiles	O=C(/C=C/c1cccc(Cl)c1Cl)c(cc1)ccc1S(N1CCCCCC1)(=O)=O
InChI	InChI=1S/C21H21Cl2NO3S/c22-19-7-5-6-17(21(19)23)10-13-20(25)16-8-11-18(12-9-16)28(26,27)24-14-3-1-2-4-15-24/h5-13H,1-4,14-15H2
InChIK	ATUJQIZTTRXGNN-UHFFFAOYSA-N
TotalMolweight	438.374
Molweight	438.374
MonoisotopicMass	437.061918
CLogP	5.0646
CLogS	-5.677
H Acceptors	4
TotalSurfaceArea	316.05
Relative PSA	0.14292
PolarSurfaceArea	62.83
Druglikeness	0.16768
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	6
Amides	1
StereoCon

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