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

Formula:C22H20NO3ClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one is a drug-like molecule.

MolName	3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one
MolecularFormula	C22H20NO3ClF3
Smiles	Oc(cc1)c(C[NH+]2CCCCC2)c(OC(C(F)(F)F)=C2c(cccc3)c3Cl)c1C2=O
InChI	InChI=1S/C22H19ClF3NO3/c23-16-7-3-2-6-13(16)18-19(29)14-8-9-17(28)15(12-27-10-4-1-5-11-27)20(14)30-21(18)22(24,25)26/h2-3,6-9,28H,1,4-5,10-12H2/p+1
InChIK	PZCDEBPCTKJHHP-UHFFFAOYSA-O
TotalMolweight	438.852
Molweight	438.852
MonoisotopicMass	438.10838
CLogP	2.7242
CLogS	-5.521
H Acceptors	4
H Donors	2
TotalSurfaceArea	314.82
Relative PSA	0.17067
PolarSurfaceArea	50.97
Druglikeness	-12.188
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	4
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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