N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-4-hydroxybenzamide

Formula:C14H17N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-4-hydroxybenzamide is a drug-like molecule.

MolNameN-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]-4-hydroxybenzamide
MolecularFormulaC14H17N3O2
SmilesOc(cc1)ccc1C(N/N=C1/C(CC2)CCN2C1)=O
InChIInChI=1S/C14H17N3O2/c18-12-3-1-11(2-4-12)14(19)16-15-13-9-17-7-5-10(13)6-8-17/h1-4,10,18H,5-9H2,(H,16,19)
InChIKHUFGMLLWTSWEHV-UHFFFAOYSA-N
TotalMolweight259.308
Molweight259.308
MonoisotopicMass259.132077
CLogP1.6843
CLogS-2.176
H Acceptors5
H Donors2
TotalSurfaceArea196.39
Relative PSA0.26814
PolarSurfaceArea64.93
Druglikeness7.7513
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.63158
Fragments1
Non HAtoms19
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond2
Rings Closures3
Small Rings4
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms8
Symmetricatoms4
Amines1
AlkylAmines1
BasicNitrogens1
StereoCon

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