N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

Formula:C19H14N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is a drug-like molecule.

MolName	N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
MolecularFormula	C19H14N6O2
Smiles	C1Oc(cc(/C=N\Nc2ncnc3c2cnn3-c2ccccc2)cc2)c2O1
InChI	InChI=1S/C19H14N6O2/c1-2-4-14(5-3-1)25-19-15(10-23-25)18(20-11-21-19)24-22-9-13-6-7-16-17(8-13)27-12-26-16/h1-11H,12H2,(H,20,21,24)
InChIK	OZSVBYMJELPSHY-UHFFFAOYSA-N
TotalMolweight	358.36
Molweight	358.36
MonoisotopicMass	358.117824
CLogP	4.5091
CLogS	-5.462
H Acceptors	8
H Donors	1
TotalSurfaceArea	269.34
Relative PSA	0.30723
PolarSurfaceArea	86.45
Druglikeness	3.2071
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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