4-[(Z)-[(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinylidene]methyl]benzoate

Formula:C22H14N3O3S Mutagenic:none Tumorigenic:high Reproductive Effective:high 4-[(Z)-[(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinylidene]methyl]benzoate is a drug-like molecule.

MolName	4-[(Z)-[(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinylidene]methyl]benzoate
MolecularFormula	C22H14N3O3S
Smiles	[O-]C(c1ccc(/C=N\NC(c2cc(-c3cccs3)nc3ccccc23)=O)cc1)=O
InChI	InChI=1S/C22H15N3O3S/c26-21(25-23-13-14-7-9-15(10-8-14)22(27)28)17-12-19(20-6-3-11-29-20)24-18-5-2-1-4-16(17)18/h1-13H,(H,25,26)(H,27,28)/p-1
InChIK	QSPHYIYVSSQURU-UHFFFAOYSA-M
TotalMolweight	400.437
Molweight	400.437
MonoisotopicMass	400.075587
CLogP	2.7004
CLogS	-6.139
H Acceptors	6
H Donors	1
TotalSurfaceArea	301.33
Relative PSA	0.31414
PolarSurfaceArea	122.72
Druglikeness	6.0117
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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