2-amino-4-chloro-5-(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidin-7-one

Formula:C8H4N4OClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-amino-4-chloro-5-(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidin-7-one is a drug-like molecule.

MolName	2-amino-4-chloro-5-(trifluoromethyl)-8H-pyrido[2,3-d]pyrimidin-7-one
MolecularFormula	C8H4N4OClF3
Smiles	Nc1nc(NC(C=C2C(F)(F)F)=O)c2c(Cl)n1
InChI	InChI=1S/C8H4ClF3N4O/c9-5-4-2(8(10,11)12)1-3(17)14-6(4)16-7(13)15-5/h1H,(H3,13,14,15,16,17)
InChIK	ZTDIFKBPIUGBRU-UHFFFAOYSA-N
TotalMolweight	264.594
Molweight	264.594
MonoisotopicMass	264.002572
CLogP	0.6934
CLogS	-3.248
H Acceptors	5
H Donors	2
TotalSurfaceArea	164.6
Relative PSA	0.37491
PolarSurfaceArea	80.9
Druglikeness	-7.2133
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47059
Fragments	1
Non HAtoms	17
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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