1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-phenylurea

Formula:C11H9N5O Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-phenylurea is a drug-like molecule.

MolName	1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-phenylurea
MolecularFormula	C11H9N5O
Smiles	N/C(/C#N)=C(/C#N)\NC(Nc1ccccc1)=O
InChI	InChI=1S/C11H9N5O/c12-6-9(14)10(7-13)16-11(17)15-8-4-2-1-3-5-8/h1-5H,14H2,(H2,15,16,17)
InChIK	RNAYXSOGFOWMON-UHFFFAOYSA-N
TotalMolweight	227.226
Molweight	227.226
MonoisotopicMass	227.08071
CLogP	0.8419
CLogS	-3.49
H Acceptors	6
H Donors	3
TotalSurfaceArea	188.79
Relative PSA	0.41501
PolarSurfaceArea	114.73
Druglikeness	-4.8863
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Symmetricatoms	2
Amides	2
BasicNitrogens	1
StereoCon

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