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

Formula:C14H18N4O Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-amino-N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]benzamide is a drug-like molecule.

MolName4-amino-N-[(Z)-1-azabicyclo[2.2.2]octan-3-ylideneamino]benzamide
MolecularFormulaC14H18N4O
SmilesNc(cc1)ccc1C(N/N=C1/C(CC2)CCN2C1)=O
InChIInChI=1S/C14H18N4O/c15-12-3-1-11(2-4-12)14(19)17-16-13-9-18-7-5-10(13)6-8-18/h1-4,10H,5-9,15H2,(H,17,19)
InChIKFDBMFLGFIYCHQP-UHFFFAOYSA-N
TotalMolweight258.324
Molweight258.324
MonoisotopicMass258.148061
CLogP1.3527
CLogS-2.548
H Acceptors5
H Donors2
TotalSurfaceArea198.56
Relative PSA0.27614
PolarSurfaceArea70.72
Druglikeness7.7283
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
Sp3Atoms7
Symmetricatoms4
Amines2
AlkylAmines1
Aromatic Amines1
BasicNitrogens1
StereoCon

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