(E)-3-(2,4-dichlorophenyl)-N,N-bis(2-hydroxyethyl)-2-(2-oxopyridin-1-yl)prop-2-enamide

Formula:C18H18N2O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(2,4-dichlorophenyl)-N,N-bis(2-hydroxyethyl)-2-(2-oxopyridin-1-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(2,4-dichlorophenyl)-N,N-bis(2-hydroxyethyl)-2-(2-oxopyridin-1-yl)prop-2-enamide
MolecularFormula	C18H18N2O4Cl2
Smiles	OCCN(CCO)C(/C(/N(C=CC=C1)C1=O)=C\c(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C18H18Cl2N2O4/c19-14-5-4-13(15(20)12-14)11-16(22-6-2-1-3-17(22)25)18(26)21(7-9-23)8-10-24/h1-6,11-12,23-24H,7-10H2
InChIK	AJBORHDUJWYPRO-UHFFFAOYSA-N
TotalMolweight	397.257
Molweight	397.257
MonoisotopicMass	396.064362
CLogP	1.9427
CLogS	-3.182
H Acceptors	6
H Donors	2
TotalSurfaceArea	292.15
Relative PSA	0.20325
PolarSurfaceArea	81.08
Druglikeness	3.3908
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.46154
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	3
Amides	2
StereoCon

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