N-(4-bromo-2-methylphenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide

Formula:C14H14N3OBrF2 Mutagenic:none Tumorigenic:high Reproductive Effective:none N-(4-bromo-2-methylphenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is a drug-like molecule.

MolName	N-(4-bromo-2-methylphenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
MolecularFormula	C14H14N3OBrF2
Smiles	Cc1cc(C(F)F)nn1CC(Nc(cc1)c(C)cc1Br)=O
InChI	InChI=1S/C14H14BrF2N3O/c1-8-5-10(15)3-4-11(8)18-13(21)7-20-9(2)6-12(19-20)14(16)17/h3-6,14H,7H2,1-2H3,(H,18,21)
InChIK	RULWFVAEHJHAHC-UHFFFAOYSA-N
TotalMolweight	358.185
Molweight	358.185
MonoisotopicMass	357.028829
CLogP	2.5827
CLogS	-3.661
H Acceptors	4
H Donors	1
TotalSurfaceArea	232.3
Relative PSA	0.18226
PolarSurfaceArea	46.92
Druglikeness	-0.17495
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	1
Amides	1
Aromatic Nitrogens	2
StereoCon

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