(Z)-4-(5-benzyl-[1,3]dioxolo[4,5-f]indol-6-yl)-4-hydroxy-2-oxobut-3-enoic acid

Formula:C20H15NO6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-(5-benzyl-[1,3]dioxolo[4,5-f]indol-6-yl)-4-hydroxy-2-oxobut-3-enoic acid is a drug-like molecule.

MolName	(Z)-4-(5-benzyl-[1,3]dioxolo[4,5-f]indol-6-yl)-4-hydroxy-2-oxobut-3-enoic acid
MolecularFormula	C20H15NO6
Smiles	O/C(/c1cc(cc2OCOc2c2)c2n1Cc1ccccc1)=C\C(C(O)=O)=O
InChI	InChI=1S/C20H15NO6/c22-16(9-17(23)20(24)25)15-6-13-7-18-19(27-11-26-18)8-14(13)21(15)10-12-4-2-1-3-5-12/h1-9,22H,10-11H2,(H,24,25)
InChIK	IJZDWIRTPRBFOP-UHFFFAOYSA-N
TotalMolweight	365.34
Molweight	365.34
MonoisotopicMass	365.089939
CLogP	1.8653
CLogS	-3.167
H Acceptors	7
H Donors	2
TotalSurfaceArea	263.75
Relative PSA	0.30009
PolarSurfaceArea	97.99
Druglikeness	-3.8887
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	6
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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