3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]chromen-4-one

Formula:C23H26N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]chromen-4-one is a drug-like molecule.

MolName	3-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]chromen-4-one
MolecularFormula	C23H26N2O2
Smiles	O=C1c(cccc2)c2OC=C1C[NH+]1CC[NH+](C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C23H24N2O2/c26-23-20(18-27-22-11-5-4-10-21(22)23)17-25-15-13-24(14-16-25)12-6-9-19-7-2-1-3-8-19/h1-11,18H,12-17H2/p+2
InChIK	XPZAXCXESFVXCH-UHFFFAOYSA-P
TotalMolweight	362.471
Molweight	362.471
MonoisotopicMass	362.199428
CLogP	-0.8189
CLogS	-3.314
H Acceptors	4
H Donors	2
TotalSurfaceArea	316.22
Relative PSA	0.18411
PolarSurfaceArea	35.18
Druglikeness	-0.23706
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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