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

Formula:C18H13N4OBr2Cl Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-bromo-N-[(Z)-(3-bromophenyl)methylideneamino]-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide is a drug-like molecule.

MolName	4-bromo-N-[(Z)-(3-bromophenyl)methylideneamino]-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide
MolecularFormula	C18H13N4OBr2Cl
Smiles	O=C(c1nn(Cc(cc2)ccc2Cl)cc1Br)N/N=C\c1cccc(Br)c1
InChI	InChI=1S/C18H13Br2ClN4O/c19-14-3-1-2-13(8-14)9-22-23-18(26)17-16(20)11-25(24-17)10-12-4-6-15(21)7-5-12/h1-9,11H,10H2,(H,23,26)
InChIK	MISHHPXRMNQRTC-UHFFFAOYSA-N
TotalMolweight	496.589
Molweight	496.589
MonoisotopicMass	493.91446
CLogP	4.7318
CLogS	-5.706
H Acceptors	5
H Donors	1
TotalSurfaceArea	301.15
Relative PSA	0.17881
PolarSurfaceArea	59.28
Druglikeness	1.9104
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65385
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	2
Aromatic Nitrogens	2
StereoCon

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