4-bromo-N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide

Formula:C25H19N4O2Br2Cl Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-bromo-N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide is not a drug-like molecule.

MolName	4-bromo-N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide
MolecularFormula	C25H19N4O2Br2Cl
Smiles	O=C(c1nn(Cc(cc2)ccc2Cl)cc1Br)N/N=C\c(cccc1)c1OCc(cc1)ccc1Br
InChI	InChI=1S/C25H19Br2ClN4O2/c26-20-9-5-18(6-10-20)16-34-23-4-2-1-3-19(23)13-29-30-25(33)24-22(27)15-32(31-24)14-17-7-11-21(28)12-8-17/h1-13,15H,14,16H2,(H,30,33)
InChIK	FDBKQPVHQHUULK-UHFFFAOYSA-N
TotalMolweight	602.713
Molweight	602.713
MonoisotopicMass	599.956325
CLogP	6.0799
CLogS	-7.047
H Acceptors	6
H Donors	1
TotalSurfaceArea	384.67
Relative PSA	0.16599
PolarSurfaceArea	68.51
Druglikeness	1.5795
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64706
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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