N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide

Formula:C25H22N6O Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide is not a drug-like molecule.

MolNameN-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
MolecularFormulaC25H22N6O
SmilesO=C(c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)N/N=C(/CCC1)\c2c1cccc2
InChIInChI=1S/C25H22N6O/c32-25(28-26-23-12-6-10-19-7-4-5-11-22(19)23)21-15-13-18(14-16-21)17-31-29-24(27-30-31)20-8-2-1-3-9-20/h1-5,7-9,11,13-16H,6,10,12,17H2,(H,28,32)
InChIKFYJSPEXKJOVCMX-UHFFFAOYSA-N
TotalMolweight422.491
Molweight422.491
MonoisotopicMass422.185509
CLogP5.0485
CLogS-6.061
H Acceptors7
H Donors1
TotalSurfaceArea331.74
Relative PSA0.22846
PolarSurfaceArea85.06
Druglikeness-2.952
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.625
Fragments1
Non HAtoms32
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms4
Symmetricatoms4
Aromatic Nitrogens4
StereoCon

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