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[(E)-[amino-[3-[(4-chlorophenyl)sulfonylmethyl]phenyl]methylidene]amino] 2-chlorobenzoate

Formula:C21H16N2O4Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino-[3-[(4-chlorophenyl)sulfonylmethyl]phenyl]methylidene]amino] 2-chlorobenzoate is a drug-like molecule.
MolName[(E)-[amino-[3-[(4-chlorophenyl)sulfonylmethyl]phenyl]methylidene]amino] 2-chlorobenzoate
MolecularFormulaC21H16N2O4Cl2S
SmilesN/C(/c1cc(CS(c(cc2)ccc2Cl)(=O)=O)ccc1)=N/OC(c(cccc1)c1Cl)=O
InChIInChI=1S/C21H16Cl2N2O4S/c22-16-8-10-17(11-9-16)30(27,28)13-14-4-3-5-15(12-14)20(24)25-29-21(26)18-6-1-2-7-19(18)23/h1-12H,13H2,(H2,24,25)
InChIKKHRAESRFTNGRFQ-UHFFFAOYSA-N
TotalMolweight463.34
Molweight463.34
MonoisotopicMass462.020782
CLogP4.7703
CLogS-7.006
H Acceptors6
H Donors1
TotalSurfaceArea325.2
Relative PSA0.24108
PolarSurfaceArea107.2
Druglikeness-3.9896
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.6
Fragments1
Non HAtoms30
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms3
StereoCon

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