N-[(Z)-(3-oxocyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide

Formula:C21H20N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(3-oxocyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide is a drug-like molecule.

MolName	N-[(Z)-(3-oxocyclohexylidene)amino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
MolecularFormula	C21H20N6O2
Smiles	O=C(c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)N/N=C(/CCC1)\CC1=O
InChI	InChI=1S/C21H20N6O2/c28-19-8-4-7-18(13-19)22-24-21(29)17-11-9-15(10-12-17)14-27-25-20(23-26-27)16-5-2-1-3-6-16/h1-3,5-6,9-12H,4,7-8,13-14H2,(H,24,29)
InChIK	BFARDUOHLLOLJW-UHFFFAOYSA-N
TotalMolweight	388.43
Molweight	388.43
MonoisotopicMass	388.164774
CLogP	3.4181
CLogS	-4.626
H Acceptors	8
H Donors	1
TotalSurfaceArea	303.49
Relative PSA	0.29269
PolarSurfaceArea	102.13
Druglikeness	-4.4992
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	4
StereoCon

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