3-(4-methoxyphenyl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxochromen-7-olate

Formula:C23H26N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-(4-methoxyphenyl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxochromen-7-olate is a drug-like molecule.

MolName	3-(4-methoxyphenyl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxochromen-7-olate
MolecularFormula	C23H26N2O4
Smiles	CC(Oc1c2ccc([O-])c1C[NH+]1CCN(C)CC1)=C(c(cc1)ccc1OC)C2=O
InChI	InChI=1S/C23H26N2O4/c1-15-21(16-4-6-17(28-3)7-5-16)22(27)18-8-9-20(26)19(23(18)29-15)14-25-12-10-24(2)11-13-25/h4-9,26H,10-14H2,1-3H3
InChIK	GHIYDMZSABPASM-UHFFFAOYSA-N
TotalMolweight	394.469
Molweight	394.469
MonoisotopicMass	394.189258
CLogP	-1.0687
CLogS	-2.676
H Acceptors	6
H Donors	1
TotalSurfaceArea	314.44
Relative PSA	0.21772
PolarSurfaceArea	66.27
Druglikeness	1.8483
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	13
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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