4-(6-bromo-2-oxochromen-3-yl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Formula:C24H21NO5Br Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-(6-bromo-2-oxochromen-3-yl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one is a drug-like molecule.

MolName	4-(6-bromo-2-oxochromen-3-yl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one
MolecularFormula	C24H21NO5Br
Smiles	Oc(cc1)c(C[NH+]2CCCCC2)c(O2)c1C(C1=Cc(cc(cc3)Br)c3OC1=O)=CC2=O
InChI	InChI=1S/C24H20BrNO5/c25-15-4-7-21-14(10-15)11-18(24(29)30-21)17-12-22(28)31-23-16(17)5-6-20(27)19(23)13-26-8-2-1-3-9-26/h4-7,10-12,27H,1-3,8-9,13H2/p+1
InChIK	AYFGPJVFGJYBSI-UHFFFAOYSA-O
TotalMolweight	483.337
Molweight	483.337
MonoisotopicMass	482.06031
CLogP	1.5617
CLogS	-4.617
H Acceptors	6
H Donors	2
TotalSurfaceArea	329.32
Relative PSA	0.23312
PolarSurfaceArea	77.27
Druglikeness	-6.7324
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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