3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione

Formula:C17H18N4O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione is a drug-like molecule.

MolName	3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione
MolecularFormula	C17H18N4O4
Smiles	[O-][N+](c1c(/C=C/C=N\N(C(C2(CCCCC2)N2)=O)C2=O)cccc1)=O
InChI	InChI=1S/C17H18N4O4/c22-15-17(10-4-1-5-11-17)19-16(23)20(15)18-12-6-8-13-7-2-3-9-14(13)21(24)25/h2-3,6-9,12H,1,4-5,10-11H2,(H,19,23)
InChIK	YWRCOSRGWJNYOK-UHFFFAOYSA-N
TotalMolweight	342.354
Molweight	342.354
MonoisotopicMass	342.132806
CLogP	1.2475
CLogS	-4.488
H Acceptors	8
H Donors	1
TotalSurfaceArea	257.66
Relative PSA	0.32221
PolarSurfaceArea	107.59
Druglikeness	-3.4137
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione | 2 - 3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-1,3-diazaspiro[4.5]decane-2,4-dione

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