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1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-5-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]methyl]-1,3-diazinane-2,4,6-trione

Formula:C19H13N7O3Cl2F6 Mutagenic:none Tumorigenic:high Reproductive Effective:high 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-5-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]methyl]-1,3-diazinane-2,4,6-trione is not a drug-like molecule.
MolName1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-5-[(Z)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]methyl]-1,3-diazinane-2,4,6-trione
MolecularFormulaC19H13N7O3Cl2F6
SmilesO=C(C(/C=N\Nc(ncc(C(F)(F)F)c1)c1Cl)C(N1CCNc2ncc(C(F)(F)F)cc2Cl)=O)NC1=O
InChIInChI=1S/C19H13Cl2F6N7O3/c20-11-3-8(18(22,23)24)5-29-13(11)28-1-2-34-16(36)10(15(35)32-17(34)37)7-31-33-14-12(21)4-9(6-30-14)19(25,26)27/h3-7,10H,1-2H2,(H,28,29)(H,30,33)(H,32,35,37)/t10-/m0/s1
InChIKNLKRJZJBGDXLTD-JTQLQIEISA-N
TotalMolweight572.252
Molweight572.252
MonoisotopicMass571.03611
CLogP4.0429
CLogS-5.505
H Acceptors10
H Donors3
TotalSurfaceArea369.51
Relative PSA0.29904
PolarSurfaceArea128.68
Druglikeness0.476
Mutagenicnone
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.56757
Fragments1
Non HAtoms37
NonCHAtoms18
Electronegative Atoms18
StereoCenters1
Rotatable Bond9
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms5
Symmetricatoms4
Amides2
Aromatic Nitrogens2
BasicNitrogens2
StereoConracemate

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