[(Z)-spiro[5.5]undeca-4,9-dien-3-ylideneamino]urea

Formula:C12H17N3O Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-spiro[5.5]undeca-4,9-dien-3-ylideneamino]urea is a drug-like molecule.

MolName	[(Z)-spiro[5.5]undeca-4,9-dien-3-ylideneamino]urea
MolecularFormula	C12H17N3O
Smiles	NC(N/N=C(/CC1)\C=CC11CC=CCC1)=O
InChI	InChI=1S/C12H17N3O/c13-11(16)15-14-10-4-8-12(9-5-10)6-2-1-3-7-12/h1-2,4,8H,3,5-7,9H2,(H3,13,15,16)/t12-/m1/s1
InChIK	NHBCPECHRVEKFI-GFCCVEGCSA-N
TotalMolweight	219.287
Molweight	219.287
MonoisotopicMass	219.137162
CLogP	1.6688
CLogS	-3.453
H Acceptors	4
H Donors	2
TotalSurfaceArea	179.41
Relative PSA	0.28583
PolarSurfaceArea	67.48
Druglikeness	-1.9253
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	1
Rotatable Bond	1
Rings Closures	2
Small Rings	2
Sp3Atoms	6
Amides	1
StereoCon	racemate

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