3-(2,4-dichlorophenyl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one

Formula:C20H18NO4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(2,4-dichlorophenyl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one is a drug-like molecule.

MolName	3-(2,4-dichlorophenyl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one
MolecularFormula	C20H18NO4Cl2
Smiles	Oc(cc1)c(C[NH+]2CCOCC2)c(OC=C2c(ccc(Cl)c3)c3Cl)c1C2=O
InChI	InChI=1S/C20H17Cl2NO4/c21-12-1-2-13(17(22)9-12)16-11-27-20-14(19(16)25)3-4-18(24)15(20)10-23-5-7-26-8-6-23/h1-4,9,11,24H,5-8,10H2/p+1
InChIK	PEWQHHKBCQUOCS-UHFFFAOYSA-O
TotalMolweight	407.272
Molweight	407.272
MonoisotopicMass	406.061288
CLogP	1.0128
CLogS	-4.372
H Acceptors	5
H Donors	2
TotalSurfaceArea	298.81
Relative PSA	0.21328
PolarSurfaceArea	60.2
Druglikeness	-1.9824
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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