(2Z,4Z)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid

Formula:C12H10O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high (2Z,4Z)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid is a drug-like molecule.

MolName	(2Z,4Z)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid
MolecularFormula	C12H10O4
Smiles	OC(/C=C\C=C/c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)
InChIK	RHBGITBPARBDPH-UHFFFAOYSA-N
TotalMolweight	218.207
Molweight	218.207
MonoisotopicMass	218.05791
CLogP	2.2419
CLogS	-3.022
H Acceptors	4
H Donors	1
TotalSurfaceArea	170.62
Relative PSA	0.27043
PolarSurfaceArea	55.76
Druglikeness	0.40767
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
AcidicOxygens	1
StereoCon

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