[(E)-[(E)-1-(3-oxo-1H-2-benzofuran-1-yl)-4-phenylbut-3-en-2-ylidene]amino]urea

Formula:C19H17N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-[(E)-1-(3-oxo-1H-2-benzofuran-1-yl)-4-phenylbut-3-en-2-ylidene]amino]urea is a drug-like molecule.

MolName	[(E)-[(E)-1-(3-oxo-1H-2-benzofuran-1-yl)-4-phenylbut-3-en-2-ylidene]amino]urea
MolecularFormula	C19H17N3O3
Smiles	NC(N/N=C(\CC(c1c2cccc1)OC2=O)/C=C/c1ccccc1)=O
InChI	InChI=1S/C19H17N3O3/c20-19(24)22-21-14(11-10-13-6-2-1-3-7-13)12-17-15-8-4-5-9-16(15)18(23)25-17/h1-11,17H,12H2,(H3,20,22,24)/t17-/m1/s1
InChIK	GATAKOZDABKIEB-QGZVFWFLSA-N
TotalMolweight	335.362
Molweight	335.362
MonoisotopicMass	335.126992
CLogP	2.7193
CLogS	-4.671
H Acceptors	6
H Donors	2
TotalSurfaceArea	260.73
Relative PSA	0.28505
PolarSurfaceArea	93.78
Druglikeness	3.4375
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon	racemate

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