3-[(Z)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol

Formula:C16H11N3OCl2S Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-[(Z)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is not a drug-like molecule.

MolName3-[(Z)-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
MolecularFormulaC16H11N3OCl2S
SmilesOc1cccc(/C=N\Nc2nc(-c(ccc(Cl)c3)c3Cl)cs2)c1
InChIInChI=1S/C16H11Cl2N3OS/c17-11-4-5-13(14(18)7-11)15-9-23-16(20-15)21-19-8-10-2-1-3-12(22)6-10/h1-9,22H,(H,20,21)
InChIKLKSQFVCCDKNGGO-UHFFFAOYSA-N
TotalMolweight364.255
Molweight364.255
MonoisotopicMass362.999986
CLogP7.0827
CLogS-5.836
H Acceptors4
H Donors2
TotalSurfaceArea260.89
Relative PSA0.25835
PolarSurfaceArea85.75
Druglikeness3.8981
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.65217
Fragments1
Non HAtoms23
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms1
Aromatic Nitrogens1
BasicNitrogens1
StereoCon

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