N-[(Z)-[1-(2-amino-2-oxoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-3-bromobenzamide

Formula:C19H16N5O2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[1-(2-amino-2-oxoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-3-bromobenzamide is a drug-like molecule.

MolName	N-[(Z)-[1-(2-amino-2-oxoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-3-bromobenzamide
MolecularFormula	C19H16N5O2Br
Smiles	NC(Cn(cc1/C=N\NC(c2cccc(Br)c2)=O)nc1-c1ccccc1)=O
InChI	InChI=1S/C19H16BrN5O2/c20-16-8-4-7-14(9-16)19(27)23-22-10-15-11-25(12-17(21)26)24-18(15)13-5-2-1-3-6-13/h1-11H,12H2,(H2,21,26)(H,23,27)
InChIK	OTNXZRRRSFDCDZ-UHFFFAOYSA-N
TotalMolweight	426.273
Molweight	426.273
MonoisotopicMass	425.048736
CLogP	2.3212
CLogS	-4.656
H Acceptors	7
H Donors	2
TotalSurfaceArea	293.37
Relative PSA	0.28006
PolarSurfaceArea	102.37
Druglikeness	5.5646
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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