1-(2,4-difluorophenyl)-7-fluoro-4-oxo-2-piperazin-2-yl-1,8-naphthyridine-3-carboxylic acid

Formula:C19H15N4O3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(2,4-difluorophenyl)-7-fluoro-4-oxo-2-piperazin-2-yl-1,8-naphthyridine-3-carboxylic acid is a drug-like molecule.

MolName	1-(2,4-difluorophenyl)-7-fluoro-4-oxo-2-piperazin-2-yl-1,8-naphthyridine-3-carboxylic acid
MolecularFormula	C19H15N4O3F3
Smiles	OC(C1=C(C2NCCNC2)N(c(ccc(F)c2)c2F)c(nc(cc2)F)c2C1=O)=O
InChI	InChI=1S/C19H15F3N4O3/c20-9-1-3-13(11(21)7-9)26-16(12-8-23-5-6-24-12)15(19(28)29)17(27)10-2-4-14(22)25-18(10)26/h1-4,7,12,23-24H,5-6,8H2,(H,28,29)/t12-/m0/s1
InChIK	AUFCEYCYYDPZJP-LBPRGKRZSA-N
TotalMolweight	404.347
Molweight	404.347
MonoisotopicMass	404.109625
CLogP	-2.4714
CLogS	-5.242
H Acceptors	7
H Donors	3
TotalSurfaceArea	275.6
Relative PSA	0.27801
PolarSurfaceArea	94.56
Druglikeness	1.3913
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.37931
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Amines	2
AlkylAmines	2
Aromatic Nitrogens	1
BasicNitrogens	2
AcidicOxygens	1
StereoCon	racemate

Click to Load Molecule:

1 - 1-(2,4-difluorophenyl)-7-fluoro-4-oxo-2-piperazin-2-yl-1,8-naphthyridine-3-carboxylic acid | 2 - 1-(2,4-difluorophenyl)-7-fluoro-4-oxo-2-piperazin-2-yl-1,8-naphthyridine-3-carboxylic acid

Request More Details | 1-(2,4-difluorophenyl)-7-fluoro-4-oxo-2-piperazin-2-yl-1,8-naphthyridine-3-carboxylic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments