(E)-3-(1,3-benzodioxol-5-yl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine

Formula:C20H20N2O3 Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-N-(4-morpholin-4-ylphenyl)prop-2-en-1-imine
MolecularFormula	C20H20N2O3
Smiles	C1Oc(cc(/C=C/C=N/c(cc2)ccc2N2CCOCC2)cc2)c2O1
InChI	InChI=1S/C20H20N2O3/c1(2-16-3-8-19-20(14-16)25-15-24-19)9-21-17-4-6-18(7-5-17)22-10-12-23-13-11-22/h1-9,14H,10-13,15H2
InChIK	PGFDXYAHXHIQOK-UHFFFAOYSA-N
TotalMolweight	336.39
Molweight	336.39
MonoisotopicMass	336.147393
CLogP	2.8321
CLogS	-4.264
H Acceptors	5
TotalSurfaceArea	266.38
Relative PSA	0.16916
PolarSurfaceArea	43.29
Druglikeness	1.6325
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
Amines	1
Aromatic Amines	1
StereoCon

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