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[6-oxo-6-[(2Z)-2-[(4-oxochromen-3-yl)methylidene]hydrazinyl]hexyl]azanium

Formula:C16H20N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [6-oxo-6-[(2Z)-2-[(4-oxochromen-3-yl)methylidene]hydrazinyl]hexyl]azanium is a drug-like molecule.
MolName[6-oxo-6-[(2Z)-2-[(4-oxochromen-3-yl)methylidene]hydrazinyl]hexyl]azanium
MolecularFormulaC16H20N3O3
Smiles[NH3+]CCCCCC(N/N=C\C1=COc(cccc2)c2C1=O)=O
InChIInChI=1S/C16H19N3O3/c17-9-5-1-2-8-15(20)19-18-10-12-11-22-14-7-4-3-6-13(14)16(12)21/h3-4,6-7,10-11H,1-2,5,8-9,17H2,(H,19,20)/p+1
InChIKVOYDTAYYIPWMPR-UHFFFAOYSA-O
TotalMolweight302.353
Molweight302.353
MonoisotopicMass302.150467
CLogP-1.8025
CLogS-3.75
H Acceptors6
H Donors2
TotalSurfaceArea242.72
Relative PSA0.30294
PolarSurfaceArea95.4
Druglikeness-4.9438
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.72727
Fragments1
Non HAtoms22
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond7
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms7
Amines1
AlkylAmines1
BasicNitrogens1
StereoCon

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