4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7,8-dihydroxychromen-2-one

Formula:C21H24N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7,8-dihydroxychromen-2-one is a drug-like molecule.

MolName	4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7,8-dihydroxychromen-2-one
MolecularFormula	C21H24N2O4
Smiles	Oc1ccc(C(C[NH+]2CC[NH+](Cc3ccccc3)CC2)=CC(O2)=O)c2c1O
InChI	InChI=1S/C21H22N2O4/c24-18-7-6-17-16(12-19(25)27-21(17)20(18)26)14-23-10-8-22(9-11-23)13-15-4-2-1-3-5-15/h1-7,12,24,26H,8-11,13-14H2/p+2
InChIK	ZQONSSLYCOVARI-UHFFFAOYSA-P
TotalMolweight	368.432
Molweight	368.432
MonoisotopicMass	368.173608
CLogP	-2.5452
CLogS	-1.522
H Acceptors	6
H Donors	4
TotalSurfaceArea	302.42
Relative PSA	0.27915
PolarSurfaceArea	75.64
Druglikeness	-2.8715
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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