(2Z)-2-(pyridin-3-ylmethylidene)-3H-inden-1-one

Formula:C15H11NO Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-(pyridin-3-ylmethylidene)-3H-inden-1-one is a drug-like molecule.

MolName	(2Z)-2-(pyridin-3-ylmethylidene)-3H-inden-1-one
MolecularFormula	C15H11NO
Smiles	O=C(/C(/C1)=C\c2cnccc2)c2c1cccc2
InChI	InChI=1S/C15H11NO/c17-15-13(8-11-4-3-7-16-10-11)9-12-5-1-2-6-14(12)15/h1-8,10H,9H2
InChIK	UCAONOPVOXJPQZ-UHFFFAOYSA-N
TotalMolweight	221.258
Molweight	221.258
MonoisotopicMass	221.084064
CLogP	2.6699
CLogS	-3.218
H Acceptors	2
TotalSurfaceArea	174.5
Relative PSA	0.13759
PolarSurfaceArea	29.96
Druglikeness	0.96317
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	1
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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