(3E)-3-[2-(benzylamino)ethylidene]oxolan-2-one

Formula:C13H15NO2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3E)-3-[2-(benzylamino)ethylidene]oxolan-2-one is a drug-like molecule.

MolName	(3E)-3-[2-(benzylamino)ethylidene]oxolan-2-one
MolecularFormula	C13H15NO2
Smiles	O=C1OCC/C1=C\CNCc1ccccc1
InChI	InChI=1S/C13H15NO2/c15-13-12(7-9-16-13)6-8-14-10-11-4-2-1-3-5-11/h1-6,14H,7-10H2
InChIK	FTFUSDONRUJDSN-UHFFFAOYSA-N
TotalMolweight	217.267
Molweight	217.267
MonoisotopicMass	217.110279
CLogP	1.0557
CLogS	-1.947
H Acceptors	3
H Donors	1
TotalSurfaceArea	178.72
Relative PSA	0.19304
PolarSurfaceArea	38.33
Druglikeness	1.3633
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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