4-hydroxy-3-[(E)-1-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-3-phenylprop-2-enyl]naphthalene-1,2-dione

Formula:C29H18O6 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-hydroxy-3-[(E)-1-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-3-phenylprop-2-enyl]naphthalene-1,2-dione is a drug-like molecule.

MolName	4-hydroxy-3-[(E)-1-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-3-phenylprop-2-enyl]naphthalene-1,2-dione
MolecularFormula	C29H18O6
Smiles	OC(c(cccc1)c1C1=O)=C(C(/C=C/c2ccccc2)C(C(C(c2c3cccc2)=O)=O)=C3O)C1=O
InChI	InChI=1S/C29H18O6/c30-24-17-10-4-6-12-19(17)26(32)28(34)22(24)21(15-14-16-8-2-1-3-9-16)23-25(31)18-11-5-7-13-20(18)27(33)29(23)35/h1-15,21,30-31H
InChIK	AJTSSDOETDCACS-UHFFFAOYSA-N
TotalMolweight	462.456
Molweight	462.456
MonoisotopicMass	462.11034
CLogP	4.3713
CLogS	-5.652
H Acceptors	6
H Donors	2
TotalSurfaceArea	334.32
Relative PSA	0.23439
PolarSurfaceArea	108.74
Druglikeness	-3.7
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.37143
Fragments	1
Non HAtoms	35
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	15
StereoCon

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