6-chloro-4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-7-methylchromen-2-one

Formula:C17H23N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-chloro-4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-7-methylchromen-2-one is a drug-like molecule.

MolName	6-chloro-4-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-7-methylchromen-2-one
MolecularFormula	C17H23N2O3Cl
Smiles	Cc(cc(c(C(C[NH+]1CC[NH+](CCO)CC1)=C1)c2)OC1=O)c2Cl
InChI	InChI=1S/C17H21ClN2O3/c1-12-8-16-14(10-15(12)18)13(9-17(22)23-16)11-20-4-2-19(3-5-20)6-7-21/h8-10,21H,2-7,11H2,1H3/p+2
InChIK	GATXOLGYIAYOME-UHFFFAOYSA-P
TotalMolweight	338.834
Molweight	338.834
MonoisotopicMass	338.13972
CLogP	-2.8424
CLogS	-1.664
H Acceptors	5
H Donors	3
TotalSurfaceArea	277.75
Relative PSA	0.25678
PolarSurfaceArea	55.41
Druglikeness	-2.7715
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	12
Symmetricatoms	2
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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