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

Formula:C19H13N4OBrCl2 Mutagenic:high Tumorigenic:low Reproductive Effective:none N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
MolecularFormula	C19H13N4OBrCl2
Smiles	O=C(c1cc(-c(ccc(Cl)c2)c2Cl)n[nH]1)N/N=C\C(\Br)=C\c1ccccc1
InChI	InChI=1S/C19H13BrCl2N4O/c20-13(8-12-4-2-1-3-5-12)11-23-26-19(27)18-10-17(24-25-18)15-7-6-14(21)9-16(15)22/h1-11H,(H,24,25)(H,26,27)
InChIK	JVWUREFKOSSJIK-UHFFFAOYSA-N
TotalMolweight	464.149
Molweight	464.149
MonoisotopicMass	461.964976
CLogP	4.7223
CLogS	-6.693
H Acceptors	5
H Donors	2
TotalSurfaceArea	309.26
Relative PSA	0.19715
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	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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