6-chloro-7-hydroxy-4-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one

Formula:C23H25N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high 6-chloro-7-hydroxy-4-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one is a drug-like molecule.

MolName	6-chloro-7-hydroxy-4-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one
MolecularFormula	C23H25N2O3Cl
Smiles	Oc(cc(c(C(C[NH+]1CC[NH+](C/C=C/c2ccccc2)CC1)=C1)c2)OC1=O)c2Cl
InChI	InChI=1S/C23H23ClN2O3/c24-20-14-19-18(13-23(28)29-22(19)15-21(20)27)16-26-11-9-25(10-12-26)8-4-7-17-5-2-1-3-6-17/h1-7,13-15,27H,8-12,16H2/p+2
InChIK	ZFAXZGLTGUFGPC-UHFFFAOYSA-P
TotalMolweight	412.916
Molweight	412.916
MonoisotopicMass	412.15537
CLogP	-0.8323
CLogS	-3.071
H Acceptors	5
H Donors	3
TotalSurfaceArea	337.99
Relative PSA	0.21101
PolarSurfaceArea	55.41
Druglikeness	-2.6668
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
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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