(E)-3-(2-chloro-6-fluorophenyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]prop-2-enamide

Formula:C20H14N4OClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-chloro-6-fluorophenyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(2-chloro-6-fluorophenyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]prop-2-enamide
MolecularFormula	C20H14N4OClF
Smiles	N#Cc1cccc(Cn2ncc(NC(/C=C/c(c(F)ccc3)c3Cl)=O)c2)c1
InChI	InChI=1S/C20H14ClFN4O/c21-18-5-2-6-19(22)17(18)7-8-20(27)25-16-11-24-26(13-16)12-15-4-1-3-14(9-15)10-23/h1-9,11,13H,12H2,(H,25,27)
InChIK	OHQOIFITUOGPDK-UHFFFAOYSA-N
TotalMolweight	380.809
Molweight	380.809
MonoisotopicMass	380.084016
CLogP	3.0985
CLogS	-4.878
H Acceptors	5
H Donors	1
TotalSurfaceArea	293.69
Relative PSA	0.19034
PolarSurfaceArea	70.71
Druglikeness	-1.626
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	2
StereoCon

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