(Z)-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylbenzimidazol-1-yl)methanimine

Formula:C19H18N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylbenzimidazol-1-yl)methanimine is a drug-like molecule.

MolName(Z)-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylbenzimidazol-1-yl)methanimine
MolecularFormulaC19H18N4O3
SmilesC1Oc(cc(/C=N\n2c(N3CCOCC3)nc3c2cccc3)cc2)c2O1
InChIInChI=1S/C19H18N4O3/c1-2-4-16-15(3-1)21-19(22-7-9-24-10-8-22)23(16)20-12-14-5-6-17-18(11-14)26-13-25-17/h1-6,11-12H,7-10,13H2
InChIKSKQWZKKIZGDLEY-UHFFFAOYSA-N
TotalMolweight350.377
Molweight350.377
MonoisotopicMass350.137891
CLogP3.2079
CLogS-6.656
H Acceptors7
TotalSurfaceArea262.44
Relative PSA0.23967
PolarSurfaceArea61.11
Druglikeness4.2318
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms26
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond3
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms8
Symmetricatoms2
Aromatic Nitrogens2
BasicNitrogens1
StereoCon

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