4-[(E)-2-piperidin-1-ylethenyl]benzo[g]quinoline-5,10-dione

Formula:C20H18N2O2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-[(E)-2-piperidin-1-ylethenyl]benzo[g]quinoline-5,10-dione is a drug-like molecule.

MolName	4-[(E)-2-piperidin-1-ylethenyl]benzo[g]quinoline-5,10-dione
MolecularFormula	C20H18N2O2
Smiles	O=C(c1c2cccc1)c1c(/C=C/N3CCCCC3)ccnc1C2=O
InChI	InChI=1S/C20H18N2O2/c23-19-15-6-2-3-7-16(15)20(24)18-17(19)14(8-10-21-18)9-13-22-11-4-1-5-12-22/h2-3,6-10,13H,1,4-5,11-12H2
InChIK	ZZOIBZBKTUIRIW-UHFFFAOYSA-N
TotalMolweight	318.375
Molweight	318.375
MonoisotopicMass	318.136828
CLogP	3.155
CLogS	-5.128
H Acceptors	4
TotalSurfaceArea	245.88
Relative PSA	0.16512
PolarSurfaceArea	50.27
Druglikeness	0.94029
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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