4-[(Z)-[[2-(2-pyridin-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate

Formula:C22H16N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[[2-(2-pyridin-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.

MolName	4-[(Z)-[[2-(2-pyridin-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate
MolecularFormula	C22H16N5O3
Smiles	[O-]C(c1ccc(/C=N\NC(Cn2c(-c3ncccc3)nc3c2cccc3)=O)cc1)=O
InChI	InChI=1S/C22H17N5O3/c28-20(26-24-13-15-8-10-16(11-9-15)22(29)30)14-27-19-7-2-1-5-17(19)25-21(27)18-6-3-4-12-23-18/h1-13H,14H2,(H,26,28)(H,29,30)/p-1
InChIK	WNNQLSZZWGNCET-UHFFFAOYSA-M
TotalMolweight	398.401
Molweight	398.401
MonoisotopicMass	398.125315
CLogP	0.4004
CLogS	-4.117
H Acceptors	8
H Donors	1
TotalSurfaceArea	307.11
Relative PSA	0.30002
PolarSurfaceArea	112.3
Druglikeness	6.0643
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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