6-[(E)-3-naphthalen-2-ylprop-2-enoyl]-2-phenylbenzo[de]isoquinoline-1,3-dione

Formula:C31H19NO3 Mutagenic:low Tumorigenic:high Reproductive Effective:none 6-[(E)-3-naphthalen-2-ylprop-2-enoyl]-2-phenylbenzo[de]isoquinoline-1,3-dione is not a drug-like molecule.

MolName	6-[(E)-3-naphthalen-2-ylprop-2-enoyl]-2-phenylbenzo[de]isoquinoline-1,3-dione
MolecularFormula	C31H19NO3
Smiles	O=C(/C=C/c1cc2ccccc2cc1)c(c1cccc(C(N2c3ccccc3)=O)c11)ccc1C2=O
InChI	InChI=1S/C31H19NO3/c33-28(18-14-20-13-15-21-7-4-5-8-22(21)19-20)24-16-17-27-29-25(24)11-6-12-26(29)30(34)32(31(27)35)23-9-2-1-3-10-23/h1-19H
InChIK	SYYHHERGXLMZMU-UHFFFAOYSA-N
TotalMolweight	453.496
Molweight	453.496
MonoisotopicMass	453.136494
CLogP	6.5218
CLogS	-8.906
H Acceptors	4
TotalSurfaceArea	338.53
Relative PSA	0.12604
PolarSurfaceArea	54.45
Druglikeness	2.5612
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	26
Symmetricatoms	2
Amides	1
StereoCon

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