4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6,7-dihydroxychromen-2-one

Formula:C20H19N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6,7-dihydroxychromen-2-one is a drug-like molecule.

MolName	4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-6,7-dihydroxychromen-2-one
MolecularFormula	C20H19N2O4Cl
Smiles	Oc(c(O)c1)cc(C(CN(CC2)CCN2c2cccc(Cl)c2)=C2)c1OC2=O
InChI	InChI=1S/C20H19ClN2O4/c21-14-2-1-3-15(9-14)23-6-4-22(5-7-23)12-13-8-20(26)27-19-11-18(25)17(24)10-16(13)19/h1-3,8-11,24-25H,4-7,12H2
InChIK	SGMCEIUIZWEMJP-UHFFFAOYSA-N
TotalMolweight	386.834
Molweight	386.834
MonoisotopicMass	386.103335
CLogP	2.3573
CLogS	-2.78
H Acceptors	6
H Donors	2
TotalSurfaceArea	276
Relative PSA	0.20413
PolarSurfaceArea	73.24
Druglikeness	3.5833
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
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	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
StereoCon

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