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[(E)-[amino-[3-(pyridin-2-ylsulfanylmethyl)phenyl]methylidene]amino] 3,4-dichlorobenzoate

Formula:C20H15N3O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino-[3-(pyridin-2-ylsulfanylmethyl)phenyl]methylidene]amino] 3,4-dichlorobenzoate is not a drug-like molecule.
MolName[(E)-[amino-[3-(pyridin-2-ylsulfanylmethyl)phenyl]methylidene]amino] 3,4-dichlorobenzoate
MolecularFormulaC20H15N3O2Cl2S
SmilesN/C(/c1cc(CSc2ncccc2)ccc1)=N/OC(c(cc1)cc(Cl)c1Cl)=O
InChIInChI=1S/C20H15Cl2N3O2S/c21-16-8-7-15(11-17(16)22)20(26)27-25-19(23)14-5-3-4-13(10-14)12-28-18-6-1-2-9-24-18/h1-11H,12H2,(H2,23,25)
InChIKYPCLWBRDGHYSAZ-UHFFFAOYSA-N
TotalMolweight432.33
Molweight432.33
MonoisotopicMass431.026201
CLogP5.342
CLogS-6.405
H Acceptors5
H Donors1
TotalSurfaceArea312.87
Relative PSA0.2502
PolarSurfaceArea102.87
Druglikeness-2.0875
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.64286
Fragments1
Non HAtoms28
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Aromatic Nitrogens1
StereoCon

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