2-[(E)-3-(1-hydroxy-3-oxophenalen-2-yl)prop-2-enylidene]phenalene-1,3-dione

Formula:C29H16O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(E)-3-(1-hydroxy-3-oxophenalen-2-yl)prop-2-enylidene]phenalene-1,3-dione is not a drug-like molecule.

MolName	2-[(E)-3-(1-hydroxy-3-oxophenalen-2-yl)prop-2-enylidene]phenalene-1,3-dione
MolecularFormula	C29H16O4
Smiles	OC(c1cccc2cccc3c12)=C(/C=C/C=C(C(c1c2c4cccc2ccc1)=O)C4=O)C3=O
InChI	InChI=1S/C29H16O4/c30-26-18-10-1-6-16-7-2-11-19(24(16)18)27(31)22(26)14-5-15-23-28(32)20-12-3-8-17-9-4-13-21(25(17)20)29(23)33/h1-15,30H
InChIK	SNYGZTLJYYHYFC-UHFFFAOYSA-N
TotalMolweight	428.442
Molweight	428.442
MonoisotopicMass	428.10486
CLogP	5.8896
CLogS	-7.917
H Acceptors	4
H Donors	1
TotalSurfaceArea	308.95
Relative PSA	0.16902
PolarSurfaceArea	71.44
Druglikeness	1.0129
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	6
StereoCon

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