(E)-3-(3-bromo-4-fluorophenyl)-N-[1-(4-cyanobutyl)pyrazol-4-yl]prop-2-enamide

Formula:C17H16N4OBrF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-bromo-4-fluorophenyl)-N-[1-(4-cyanobutyl)pyrazol-4-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(3-bromo-4-fluorophenyl)-N-[1-(4-cyanobutyl)pyrazol-4-yl]prop-2-enamide
MolecularFormula	C17H16N4OBrF
Smiles	N#CCCCCn1ncc(NC(/C=C/c(cc2)cc(Br)c2F)=O)c1
InChI	InChI=1S/C17H16BrFN4O/c18-15-10-13(4-6-16(15)19)5-7-17(24)22-14-11-21-23(12-14)9-3-1-2-8-20/h4-7,10-12H,1-3,9H2,(H,22,24)
InChIK	UEOALPZNIDVRFZ-UHFFFAOYSA-N
TotalMolweight	391.243
Molweight	391.243
MonoisotopicMass	390.04915
CLogP	2.8894
CLogS	-4.376
H Acceptors	5
H Donors	1
TotalSurfaceArea	278.42
Relative PSA	0.20078
PolarSurfaceArea	70.71
Druglikeness	-13.25
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.75
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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