2-[(E)-3-(1,3-dioxophenalen-2-ylidene)prop-1-enyl]-3-oxophenalen-1-olate

Formula:C29H15O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(E)-3-(1,3-dioxophenalen-2-ylidene)prop-1-enyl]-3-oxophenalen-1-olate is a drug-like molecule.

MolName	2-[(E)-3-(1,3-dioxophenalen-2-ylidene)prop-1-enyl]-3-oxophenalen-1-olate
MolecularFormula	C29H15O4
Smiles	[O-]C(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/p-1
InChIK	SNYGZTLJYYHYFC-UHFFFAOYSA-M
TotalMolweight	427.434
Molweight	427.434
MonoisotopicMass	427.097035
CLogP	3.8136
CLogS	-7.917
H Acceptors	4
TotalSurfaceArea	310.13
Relative PSA	0.17219
PolarSurfaceArea	74.27
Druglikeness	0.9266
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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1 - 2-[(E)-3-(1,3-dioxophenalen-2-ylidene)prop-1-enyl]-3-oxophenalen-1-olate | 2 - 2-[(E)-3-(1,3-dioxophenalen-2-ylidene)prop-1-enyl]-3-oxophenalen-1-olate

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