(Z)-N-(4-acetylphenyl)-3-(2,6-dichlorophenyl)prop-2-enamide

Formula:C17H13NO2Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (Z)-N-(4-acetylphenyl)-3-(2,6-dichlorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(Z)-N-(4-acetylphenyl)-3-(2,6-dichlorophenyl)prop-2-enamide
MolecularFormula	C17H13NO2Cl2
Smiles	CC(c(cc1)ccc1NC(/C=C\c(c(Cl)ccc1)c1Cl)=O)=O
InChI	InChI=1S/C17H13Cl2NO2/c1-11(21)12-5-7-13(8-6-12)20-17(22)10-9-14-15(18)3-2-4-16(14)19/h2-10H,1H3,(H,20,22)
InChIK	DUOQXWOEKUGNGR-UHFFFAOYSA-N
TotalMolweight	334.201
Molweight	334.201
MonoisotopicMass	333.032333
CLogP	4.2195
CLogS	-5.654
H Acceptors	3
H Donors	1
TotalSurfaceArea	249.58
Relative PSA	0.15041
PolarSurfaceArea	46.17
Druglikeness	-0.46876
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	5
Amides	1
StereoCon

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