(E)-2-cyano-3-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(4-hydroxyphenyl)prop-2-enamide

Formula:C24H17N3O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(4-hydroxyphenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-[4-[2-(3,4-dichloroanilino)-2-oxoethoxy]phenyl]-N-(4-hydroxyphenyl)prop-2-enamide
MolecularFormula	C24H17N3O4Cl2
Smiles	N#C/C(/C(Nc(cc1)ccc1O)=O)=C\c(cc1)ccc1OCC(Nc(cc1)cc(Cl)c1Cl)=O
InChI	InChI=1S/C24H17Cl2N3O4/c25-21-10-5-18(12-22(21)26)28-23(31)14-33-20-8-1-15(2-9-20)11-16(13-27)24(32)29-17-3-6-19(30)7-4-17/h1-12,30H,14H2,(H,28,31)(H,29,32)
InChIK	QNHFDKSKZLOJES-UHFFFAOYSA-N
TotalMolweight	482.322
Molweight	482.322
MonoisotopicMass	481.059611
CLogP	4.577
CLogS	-6.238
H Acceptors	7
H Donors	3
TotalSurfaceArea	358.57
Relative PSA	0.23889
PolarSurfaceArea	111.45
Druglikeness	-1.6797
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.66667
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
Amides	2
StereoCon

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