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

Formula:C19H17N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (1Z)-1-[(E)-1-(3-oxo-1H-2-benzofuran-1-yl)-4-phenylbut-3-en-2-ylidene]guanidine is a drug-like molecule.

MolName	(1Z)-1-[(E)-1-(3-oxo-1H-2-benzofuran-1-yl)-4-phenylbut-3-en-2-ylidene]guanidine
MolecularFormula	C19H17N3O2
Smiles	NC(/N=C(/CC(c1c2cccc1)OC2=O)\C=C\c1ccccc1)=N
InChI	InChI=1S/C19H17N3O2/c20-19(21)22-14(11-10-13-6-2-1-3-7-13)12-17-15-8-4-5-9-16(15)18(23)24-17/h1-11,17H,12H2,(H3,20,21)/t17-/m1/s1
InChIK	CWMNXFLZLZLNMY-QGZVFWFLSA-N
TotalMolweight	319.363
Molweight	319.363
MonoisotopicMass	319.132077
CLogP	2.3385
CLogS	-3.578
H Acceptors	5
H Donors	2
TotalSurfaceArea	251.83
Relative PSA	0.25978
PolarSurfaceArea	88.53
Druglikeness	1.2785
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	5
Electronegative Atoms	5
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
BasicNitrogens	2
StereoCon	racemate

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