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(Z)-1-(1-chloro-3,4-dihydronaphthalen-2-yl)-N-[4-[(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino]piperazin-1-yl]methanimine

Formula:C26H26N4Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:high (Z)-1-(1-chloro-3,4-dihydronaphthalen-2-yl)-N-[4-[(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino]piperazin-1-yl]methanimine is not a drug-like molecule.
MolName(Z)-1-(1-chloro-3,4-dihydronaphthalen-2-yl)-N-[4-[(Z)-(1-chloro-3,4-dihydronaphthalen-2-yl)methylideneamino]piperazin-1-yl]methanimine
MolecularFormulaC26H26N4Cl2
SmilesClC(c1c(CC2)cccc1)=C2/C=N\N(CC1)CCN1/N=C\C(CCc1c2cccc1)=C2Cl
InChIInChI=1S/C26H26Cl2N4/c27-25-21(11-9-19-5-1-3-7-23(19)25)17-29-31-13-15-32(16-14-31)30-18-22-12-10-20-6-2-4-8-24(20)26(22)28/h1-8,17-18H,9-16H2
InChIKNLLWJUYFKKEIHI-UHFFFAOYSA-N
TotalMolweight465.426
Molweight465.426
MonoisotopicMass464.15345
CLogP5.195
CLogS-3.058
H Acceptors4
TotalSurfaceArea349.4
Relative PSA0.086205
PolarSurfaceArea31.2
Druglikeness4.4245
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsallyl/benzyl chloride; imine/hydrazone of aldehyde
Shape Index0.625
Fragments1
Non HAtoms32
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms17
StereoCon

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