2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-quinolin-4-one

Formula:C18H13NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-quinolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-quinolin-4-one
MolecularFormula	C18H13NO3
Smiles	O=C1c(cccc2)c2NC(/C=C/c(cc2)cc3c2OCO3)=C1
InChI	InChI=1S/C18H13NO3/c20-16-10-13(19-15-4-2-1-3-14(15)16)7-5-12-6-8-17-18(9-12)22-11-21-17/h1-10H,11H2,(H,19,20)
InChIK	SICVHBAOKGNLCR-UHFFFAOYSA-N
TotalMolweight	291.305
Molweight	291.305
MonoisotopicMass	291.089544
CLogP	3.4123
CLogS	-5.207
H Acceptors	4
H Donors	1
TotalSurfaceArea	220.2
Relative PSA	0.20209
PolarSurfaceArea	47.56
Druglikeness	1.4611
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	2
Aromatic Atoms	12
Sp3Atoms	3
StereoCon

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