3-(2-bromophenoxy)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one

Formula:C21H21NO4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(2-bromophenoxy)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one is a drug-like molecule.

MolName	3-(2-bromophenoxy)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one
MolecularFormula	C21H21NO4Br
Smiles	Oc(cc1)c(C[NH+]2CCCCC2)c(OC=C2Oc(cccc3)c3Br)c1C2=O
InChI	InChI=1S/C21H20BrNO4/c22-16-6-2-3-7-18(16)27-19-13-26-21-14(20(19)25)8-9-17(24)15(21)12-23-10-4-1-5-11-23/h2-3,6-9,13,24H,1,4-5,10-12H2/p+1
InChIK	AOJDAGXTMQZHBE-UHFFFAOYSA-O
TotalMolweight	431.305
Molweight	431.305
MonoisotopicMass	430.065395
CLogP	1.8804
CLogS	-5.054
H Acceptors	5
H Donors	2
TotalSurfaceArea	300.36
Relative PSA	0.21218
PolarSurfaceArea	60.2
Druglikeness	-5.393
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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