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

Formula:C28H25NO4F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 7-hydroxy-3-(4-phenylphenoxy)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one is a drug-like molecule.

MolName	7-hydroxy-3-(4-phenylphenoxy)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one
MolecularFormula	C28H25NO4F3
Smiles	Oc(cc1)c(C[NH+]2CCCCC2)c(OC(C(F)(F)F)=C2Oc(cc3)ccc3-c3ccccc3)c1C2=O
InChI	InChI=1S/C28H24F3NO4/c29-28(30,31)27-26(35-20-11-9-19(10-12-20)18-7-3-1-4-8-18)24(34)21-13-14-23(33)22(25(21)36-27)17-32-15-5-2-6-16-32/h1,3-4,7-14,33H,2,5-6,15-17H2/p+1
InChIK	CXAGNERIYSBJHG-UHFFFAOYSA-O
TotalMolweight	496.504
Molweight	496.504
MonoisotopicMass	496.173568
CLogP	3.9678
CLogS	-7.302
H Acceptors	5
H Donors	2
TotalSurfaceArea	369.16
Relative PSA	0.17264
PolarSurfaceArea	60.2
Druglikeness	-12.707
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	11
Symmetricatoms	8
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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