4-[(2Z)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]benzoic acid

Formula:C21H16N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(2Z)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.

MolName	4-[(2Z)-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]hydrazinyl]benzoic acid
MolecularFormula	C21H16N4O2S
Smiles	OC(c(cc1)ccc1N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1)=O
InChI	InChI=1S/C21H16N4O2S/c26-21(27)15-8-10-17(11-9-15)23-22-13-16-14-25(18-5-2-1-3-6-18)24-20(16)19-7-4-12-28-19/h1-14,23H,(H,26,27)
InChIK	FBJSOOOJXVOJAL-UHFFFAOYSA-N
TotalMolweight	388.45
Molweight	388.45
MonoisotopicMass	388.099396
CLogP	5.2685
CLogS	-4.596
H Acceptors	6
H Donors	2
TotalSurfaceArea	296.76
Relative PSA	0.29421
PolarSurfaceArea	107.75
Druglikeness	5.2959
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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