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

Formula:C17H16N4OClF Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-chloro-6-fluorophenyl)-N-[1-(4-cyanobutyl)pyrazol-4-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(2-chloro-6-fluorophenyl)-N-[1-(4-cyanobutyl)pyrazol-4-yl]prop-2-enamide
MolecularFormula	C17H16N4OClF
Smiles	N#CCCCCn1ncc(NC(/C=C/c(c(F)ccc2)c2Cl)=O)c1
InChI	InChI=1S/C17H16ClFN4O/c18-15-5-4-6-16(19)14(15)7-8-17(24)22-13-11-21-23(12-13)10-3-1-2-9-20/h4-8,11-12H,1-3,10H2,(H,22,24)
InChIK	XOLLFWRCHMPZII-UHFFFAOYSA-N
TotalMolweight	346.792
Molweight	346.792
MonoisotopicMass	346.099666
CLogP	2.7702
CLogS	-4.278
H Acceptors	5
H Donors	1
TotalSurfaceArea	275.21
Relative PSA	0.20312
PolarSurfaceArea	70.71
Druglikeness	-11.425
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70833
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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