N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide

Formula:C22H14N4O2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-3-phenyl-1H-pyrazole-5-carboxamide
MolecularFormula	C22H14N4O2
Smiles	O=C(c1cc(-c2ccccc2)n[nH]1)N/N=C(\c1c(c2ccc3)c3ccc1)/C2=O
InChI	InChI=1S/C22H14N4O2/c27-21-16-11-5-9-14-8-4-10-15(19(14)16)20(21)25-26-22(28)18-12-17(23-24-18)13-6-2-1-3-7-13/h1-12H,(H,23,24)(H,26,28)
InChIK	RMXIKRBFEUXBSD-UHFFFAOYSA-N
TotalMolweight	366.379
Molweight	366.379
MonoisotopicMass	366.111676
CLogP	3.5317
CLogS	-6.292
H Acceptors	6
H Donors	2
TotalSurfaceArea	272.14
Relative PSA	0.27196
PolarSurfaceArea	87.21
Druglikeness	5.2841
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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