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

Formula:C18H14N4O2BrCl Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-bromo-1-[(4-chlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide is a drug-like molecule.

MolName	4-bromo-1-[(4-chlorophenyl)methyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]pyrazole-3-carboxamide
MolecularFormula	C18H14N4O2BrCl
Smiles	Oc1cccc(/C=N\NC(c2nn(Cc(cc3)ccc3Cl)cc2Br)=O)c1
InChI	InChI=1S/C18H14BrClN4O2/c19-16-11-24(10-12-4-6-14(20)7-5-12)23-17(16)18(26)22-21-9-13-2-1-3-15(25)8-13/h1-9,11,25H,10H2,(H,22,26)
InChIK	JVQZLDMEPVRNQK-UHFFFAOYSA-N
TotalMolweight	433.692
Molweight	433.692
MonoisotopicMass	431.998864
CLogP	3.6609
CLogS	-4.576
H Acceptors	6
H Donors	2
TotalSurfaceArea	288.87
Relative PSA	0.23177
PolarSurfaceArea	79.51
Druglikeness	1.8817
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	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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