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3-chloro-N-[(Z)-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine

Formula:C25H22N6OCl2F6 Mutagenic:none Tumorigenic:high Reproductive Effective:low 3-chloro-N-[(Z)-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
MolName3-chloro-N-[(Z)-[3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
MolecularFormulaC25H22N6OCl2F6
SmilesFC(c(cc1Cl)cnc1N/N=C\c1cccc(OCCN(CC2)CCN2c(ncc(C(F)(F)F)c2)c2Cl)c1)(F)F
InChIInChI=1S/C25H22Cl2F6N6O/c26-20-11-17(24(28,29)30)14-34-22(20)37-36-13-16-2-1-3-19(10-16)40-9-8-38-4-6-39(7-5-38)23-21(27)12-18(15-35-23)25(31,32)33/h1-3,10-15H,4-9H2,(H,34,37)
InChIKYGRSRHGSLAXFAM-UHFFFAOYSA-N
TotalMolweight607.385
Molweight607.385
MonoisotopicMass606.113631
CLogP7.6539
CLogS-6.492
H Acceptors7
H Donors1
TotalSurfaceArea415.94
Relative PSA0.14908
PolarSurfaceArea65.88
Druglikeness0.25295
Mutagenicnone
Tumorigenichigh
Reproductive Effectivelow
Irritanthigh
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.625
Fragments1
Non HAtoms40
NonCHAtoms15
Electronegative Atoms15
Rotatable Bond10
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms11
Symmetricatoms6
Amines1
AlkylAmines1
Aromatic Nitrogens2
BasicNitrogens3
StereoCon

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