[4-[(1Z,3E)-1-cyano-4-phenylbuta-1,3-dienyl]phenyl]urea

Formula:C18H15N3O Mutagenic:none Tumorigenic:high Reproductive Effective:low [4-[(1Z,3E)-1-cyano-4-phenylbuta-1,3-dienyl]phenyl]urea is a drug-like molecule.

MolName	[4-[(1Z,3E)-1-cyano-4-phenylbuta-1,3-dienyl]phenyl]urea
MolecularFormula	C18H15N3O
Smiles	NC(Nc(cc1)ccc1/C(/C#N)=C/C=C/c1ccccc1)=O
InChI	InChI=1S/C18H15N3O/c19-13-16(8-4-7-14-5-2-1-3-6-14)15-9-11-17(12-10-15)21-18(20)22/h1-12H,(H3,20,21,22)
InChIK	KSUUFKLEBSTXAK-UHFFFAOYSA-N
TotalMolweight	289.337
Molweight	289.337
MonoisotopicMass	289.121512
CLogP	3.0704
CLogS	-4.546
H Acceptors	4
H Donors	2
TotalSurfaceArea	243.67
Relative PSA	0.21886
PolarSurfaceArea	78.91
Druglikeness	-3.0009
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	4
Amides	2
StereoCon

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