N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

Formula:C17H13N4OBrS Mutagenic:high Tumorigenic:low Reproductive Effective:none N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is a drug-like molecule.

MolName	N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
MolecularFormula	C17H13N4OBrS
Smiles	O=C(c1n[nH]c(-c2cccs2)c1)N/N=C\C(\Br)=C\c1ccccc1
InChI	InChI=1S/C17H13BrN4OS/c18-13(9-12-5-2-1-3-6-12)11-19-22-17(23)15-10-14(20-21-15)16-7-4-8-24-16/h1-11H,(H,20,21)(H,22,23)
InChIK	ZPKSUKMERKLIJI-UHFFFAOYSA-N
TotalMolweight	401.287
Molweight	401.287
MonoisotopicMass	399.999342
CLogP	3.5338
CLogS	-5.142
H Acceptors	5
H Donors	2
TotalSurfaceArea	274.36
Relative PSA	0.29644
PolarSurfaceArea	98.38
Druglikeness	2.156
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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