(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)indole

Formula:C16H11NO2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (3Z)-3-(1,3-benzodioxol-5-ylmethylidene)indole is a drug-like molecule.

MolName	(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)indole
MolecularFormula	C16H11NO2
Smiles	C1Oc(cc(/C=C2/c(cccc3)c3N=C2)cc2)c2O1
InChI	InChI=1S/C16H11NO2/c1-2-4-14-13(3-1)12(9-17-14)7-11-5-6-15-16(8-11)19-10-18-15/h1-9H,10H2
InChIK	OYAZJNADPWKZLB-UHFFFAOYSA-N
TotalMolweight	249.268
Molweight	249.268
MonoisotopicMass	249.078979
CLogP	3.1748
CLogS	-4.032
H Acceptors	3
TotalSurfaceArea	189.25
Relative PSA	0.1665
PolarSurfaceArea	30.82
Druglikeness	0.3585
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	1
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
StereoCon

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