(3E)-3-[(4-aminophenyl)methylidene]oxolan-2-one

Formula:C11H11NO2 Mutagenic:low Tumorigenic:low Reproductive Effective:none (3E)-3-[(4-aminophenyl)methylidene]oxolan-2-one is a drug-like molecule.

MolName	(3E)-3-[(4-aminophenyl)methylidene]oxolan-2-one
MolecularFormula	C11H11NO2
Smiles	Nc1ccc(/C=C(\CCO2)/C2=O)cc1
InChI	InChI=1S/C11H11NO2/c12-10-3-1-8(2-4-10)7-9-5-6-14-11(9)13/h1-4,7H,5-6,12H2
InChIK	QHORWUVDDBIDJI-UHFFFAOYSA-N
TotalMolweight	189.213
Molweight	189.213
MonoisotopicMass	189.078979
CLogP	1.0497
CLogS	-2.443
H Acceptors	3
H Donors	1
TotalSurfaceArea	148.26
Relative PSA	0.2584
PolarSurfaceArea	52.32
Druglikeness	0.50939
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
Fragments	1
Non HAtoms	14
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Symmetricatoms	2
Amines	1
Aromatic Amines	1
StereoCon

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