N-[(2E,4E)-1-(2-hydroxyethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

Formula:C20H20N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(2E,4E)-1-(2-hydroxyethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is a drug-like molecule.

MolName	N-[(2E,4E)-1-(2-hydroxyethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
MolecularFormula	C20H20N2O3
Smiles	OCCNC(/C(/NC(c1ccccc1)=O)=C\C=C\c1ccccc1)=O
InChI	InChI=1S/C20H20N2O3/c23-15-14-21-20(25)18(13-7-10-16-8-3-1-4-9-16)22-19(24)17-11-5-2-6-12-17/h1-13,23H,14-15H2,(H,21,25)(H,22,24)
InChIK	DJUSYFINWUOQII-UHFFFAOYSA-N
TotalMolweight	336.39
Molweight	336.39
MonoisotopicMass	336.147393
CLogP	2.8513
CLogS	-3.471
H Acceptors	5
H Donors	3
TotalSurfaceArea	276.52
Relative PSA	0.22458
PolarSurfaceArea	78.43
Druglikeness	3.6464
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Amides	2
StereoCon

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