N-[(Z)-benzylideneamino]-3-[2-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide

Formula:C28H22N4O2 Mutagenic:low Tumorigenic:high Reproductive Effective:none N-[(Z)-benzylideneamino]-3-[2-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide is not a drug-like molecule.

MolName	N-[(Z)-benzylideneamino]-3-[2-(naphthalen-1-ylmethoxy)phenyl]-1H-pyrazole-5-carboxamide
MolecularFormula	C28H22N4O2
Smiles	O=C(c1cc(-c(cccc2)c2OCc2cccc3ccccc23)n[nH]1)N/N=C\c1ccccc1
InChI	InChI=1S/C28H22N4O2/c33-28(32-29-18-20-9-2-1-3-10-20)26-17-25(30-31-26)24-15-6-7-16-27(24)34-19-22-13-8-12-21-11-4-5-14-23(21)22/h1-18H,19H2,(H,30,31)(H,32,33)
InChIK	JDXDRENCXAYJAR-UHFFFAOYSA-N
TotalMolweight	446.509
Molweight	446.509
MonoisotopicMass	446.174276
CLogP	5.4419
CLogS	-7.043
H Acceptors	6
H Donors	2
TotalSurfaceArea	353.2
Relative PSA	0.20093
PolarSurfaceArea	79.37
Druglikeness	5.3264
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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