(E)-3-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]-2-cyanoprop-2-enamide

Formula:C14H8N4O2ClF Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]-2-cyanoprop-2-enamide is a drug-like molecule.

MolName	(E)-3-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]-2-cyanoprop-2-enamide
MolecularFormula	C14H8N4O2ClF
Smiles	NC(/C(/C#N)=C/c(cc1)ccc1Oc(nc(nc1)Cl)c1F)=O
InChI	InChI=1S/C14H8ClFN4O2/c15-14-19-7-11(16)13(20-14)22-10-3-1-8(2-4-10)5-9(6-17)12(18)21/h1-5,7H,(H2,18,21)
InChIK	AIGFXBOXYUWDPD-UHFFFAOYSA-N
TotalMolweight	318.695
Molweight	318.695
MonoisotopicMass	318.031981
CLogP	2.0608
CLogS	-4.984
H Acceptors	6
H Donors	1
TotalSurfaceArea	235
Relative PSA	0.31409
PolarSurfaceArea	101.89
Druglikeness	-4.4514
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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