4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-chloro-7-hydroxychromen-2-one

Formula:C22H21N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-chloro-7-hydroxychromen-2-one is a drug-like molecule.

MolName	4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-chloro-7-hydroxychromen-2-one
MolecularFormula	C22H21N2O5Cl
Smiles	Oc(cc(c(C(CN1CCN(Cc(cc2)cc3c2OCO3)CC1)=C1)c2)OC1=O)c2Cl
InChI	InChI=1S/C22H21ClN2O5/c23-17-9-16-15(8-22(27)30-20(16)10-18(17)26)12-25-5-3-24(4-6-25)11-14-1-2-19-21(7-14)29-13-28-19/h1-2,7-10,26H,3-6,11-13H2
InChIK	NWVSOPIDISLABK-UHFFFAOYSA-N
TotalMolweight	428.871
Molweight	428.871
MonoisotopicMass	428.1139
CLogP	2.7373
CLogS	-3.265
H Acceptors	7
H Donors	1
TotalSurfaceArea	303.67
Relative PSA	0.20825
PolarSurfaceArea	71.47
Druglikeness	3.8541
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	2
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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