N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide

Formula:C27H18N6O2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide is not a drug-like molecule.

MolName	N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
MolecularFormula	C27H18N6O2
Smiles	O=C(c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)N/N=C(\c1c(c2ccc3)c3ccc1)/C2=O
InChI	InChI=1S/C27H18N6O2/c34-25-22-11-5-9-18-8-4-10-21(23(18)22)24(25)28-30-27(35)20-14-12-17(13-15-20)16-33-31-26(29-32-33)19-6-2-1-3-7-19/h1-15H,16H2,(H,30,35)
InChIK	KNRYNJIENHMUQV-UHFFFAOYSA-N
TotalMolweight	458.48
Molweight	458.48
MonoisotopicMass	458.149124
CLogP	5.0081
CLogS	-7.308
H Acceptors	8
H Donors	1
TotalSurfaceArea	342.81
Relative PSA	0.25912
PolarSurfaceArea	102.13
Druglikeness	0.69074
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	4
StereoCon

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1 - N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide | 2 - N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide

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