4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxychromen-2-one

Formula:C21H24N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxychromen-2-one is a drug-like molecule.

MolName	4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxychromen-2-one
MolecularFormula	C21H24N2O3
Smiles	Oc(cc1)cc(O2)c1C(C[NH+]1CC[NH+](Cc3ccccc3)CC1)=CC2=O
InChI	InChI=1S/C21H22N2O3/c24-18-6-7-19-17(12-21(25)26-20(19)13-18)15-23-10-8-22(9-11-23)14-16-4-2-1-3-5-16/h1-7,12-13,24H,8-11,14-15H2/p+2
InChIK	FDWKSHHETQDYNT-UHFFFAOYSA-P
TotalMolweight	352.433
Molweight	352.433
MonoisotopicMass	352.178693
CLogP	-2.1995
CLogS	-1.818
H Acceptors	5
H Donors	3
TotalSurfaceArea	296.07
Relative PSA	0.24089
PolarSurfaceArea	55.41
Druglikeness	-2.8715
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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