N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide

Formula:C19H14N4OBrCl Mutagenic:high Tumorigenic:low Reproductive Effective:none N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
MolecularFormula	C19H14N4OBrCl
Smiles	O=C(c1cc(-c(cc2)ccc2Cl)n[nH]1)N/N=C\C(\Br)=C\c1ccccc1
InChI	InChI=1S/C19H14BrClN4O/c20-15(10-13-4-2-1-3-5-13)12-22-25-19(26)18-11-17(23-24-18)14-6-8-16(21)9-7-14/h1-12H,(H,23,24)(H,25,26)
InChIK	NLFBQQVTBJALPL-UHFFFAOYSA-N
TotalMolweight	429.704
Molweight	429.704
MonoisotopicMass	428.003949
CLogP	4.1163
CLogS	-5.957
H Acceptors	5
H Donors	2
TotalSurfaceArea	293.84
Relative PSA	0.20749
PolarSurfaceArea	70.14
Druglikeness	0.28536
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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