2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol

Formula:C18H13NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol is a drug-like molecule.

MolName	2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol
MolecularFormula	C18H13NO3
Smiles	Oc1c2nc(/C=C/c(cc3)cc4c3OCO4)ccc2ccc1
InChI	InChI=1S/C18H13NO3/c20-15-3-1-2-13-6-8-14(19-18(13)15)7-4-12-5-9-16-17(10-12)22-11-21-16/h1-10,20H,11H2
InChIK	JBRXQRJDXQJFIS-UHFFFAOYSA-N
TotalMolweight	291.305
Molweight	291.305
MonoisotopicMass	291.089544
CLogP	4.0023
CLogS	-4.897
H Acceptors	4
H Donors	1
TotalSurfaceArea	219.49
Relative PSA	0.20078
PolarSurfaceArea	51.58
Druglikeness	-1.3783
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Aromatic Nitrogens	1
StereoCon

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