(Z)-3-(6-amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid

Formula:C16H13NO4 Mutagenic:none Tumorigenic:low Reproductive Effective:high (Z)-3-(6-amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid is a drug-like molecule.

MolName	(Z)-3-(6-amino-1,3-benzodioxol-5-yl)-2-phenylprop-2-enoic acid
MolecularFormula	C16H13NO4
Smiles	Nc1c(/C=C(\C(O)=O)/c2ccccc2)cc2OCOc2c1
InChI	InChI=1S/C16H13NO4/c17-13-8-15-14(20-9-21-15)7-11(13)6-12(16(18)19)10-4-2-1-3-5-10/h1-8H,9,17H2,(H,18,19)
InChIK	AVSNCWYLRDGFOY-UHFFFAOYSA-N
TotalMolweight	283.282
Molweight	283.282
MonoisotopicMass	283.084459
CLogP	2.2448
CLogS	-3.743
H Acceptors	5
H Donors	2
TotalSurfaceArea	210.61
Relative PSA	0.29158
PolarSurfaceArea	81.78
Druglikeness	0.49419
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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