8-(azepan-1-ylmethyl)-3-(2,4-dichlorophenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one

Formula:C23H20NO3Cl2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:low 8-(azepan-1-ylmethyl)-3-(2,4-dichlorophenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one is not a drug-like molecule.

MolName	8-(azepan-1-ylmethyl)-3-(2,4-dichlorophenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
MolecularFormula	C23H20NO3Cl2F3
Smiles	Oc(cc1)c(CN2CCCCCC2)c(OC(C(F)(F)F)=C2c(ccc(Cl)c3)c3Cl)c1C2=O
InChI	InChI=1S/C23H20Cl2F3NO3/c24-13-5-6-14(17(25)11-13)19-20(31)15-7-8-18(30)16(12-29-9-3-1-2-4-10-29)21(15)32-22(19)23(26,27)28/h5-8,11,30H,1-4,9-10,12H2
InChIK	YWHHXEFSROEROQ-UHFFFAOYSA-N
TotalMolweight	486.316
Molweight	486.316
MonoisotopicMass	485.077232
CLogP	5.7819
CLogS	-6.527
H Acceptors	4
H Donors	1
TotalSurfaceArea	329.96
Relative PSA	0.12029
PolarSurfaceArea	49.77
Druglikeness	-10.376
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	5
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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