4-bromo-1-[(4-bromophenyl)methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pyrazole-3-carboxamide

Formula:C18H13N4OBr2F Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-bromo-1-[(4-bromophenyl)methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pyrazole-3-carboxamide is a drug-like molecule.

MolName	4-bromo-1-[(4-bromophenyl)methyl]-N-[(Z)-(4-fluorophenyl)methylideneamino]pyrazole-3-carboxamide
MolecularFormula	C18H13N4OBr2F
Smiles	O=C(c1nn(Cc(cc2)ccc2Br)cc1Br)N/N=C\c(cc1)ccc1F
InChI	InChI=1S/C18H13Br2FN4O/c19-14-5-1-13(2-6-14)10-25-11-16(20)17(24-25)18(26)23-22-9-12-3-7-15(21)8-4-12/h1-9,11H,10H2,(H,23,26)
InChIK	TZOKQPMIKIDCRZ-UHFFFAOYSA-N
TotalMolweight	480.134
Molweight	480.134
MonoisotopicMass	477.944011
CLogP	4.2266
CLogS	-5.284
H Acceptors	5
H Donors	1
TotalSurfaceArea	292.08
Relative PSA	0.18437
PolarSurfaceArea	59.28
Druglikeness	0.56212
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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