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C19H16N4O3F2 | Cheminformatics

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

Molecular Formula : C19H16N4O3F2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

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

MolecularFormula : C19H16N4O3F2

Smiles : OC(C1=C(C2NCCNC2)N(c(cc2)ccc2F)c(nc(cc2)F)c2C1=O)=O

InChI : InChI=1S/C19H16F2N4O3/c20-10-1-3-11(4-2-10)25-16(13-9-22-7-8-23-13)15(19(27)28)17(26)12-5-6-14(21)24-18(12)25/h1-6,13,22-23H,7-9H2,(H,27,28)/t13-/m0/s1

InChIK : MWAHWQYPNWIBOC-ZDUSSCGKSA-N

TotalMolweight : 386.357

Molweight : 386.357

MonoisotopicMass : 386.119047

CLogP : -2.5722

CLogS : -4.928

H Acceptors : 7

H Donors : 3

TotalSurfaceArea : 269.25

Relative PSA : 0.28457

PolarSurfaceArea : 94.56

Druglikeness : 1.3913

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : twice activated DB

Shape Index : 0.39286

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 9

Electronegative Atoms : 9

StereoCenters : 1

Rotatable Bond : 3

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 2

Amines : 2

AlkylAmines : 2

Aromatic Nitrogens : 1

BasicNitrogens : 2

AcidicOxygens : 1

StereoCon : racemate

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


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