N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

Formula:C23H16N6O2Br2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide is not a drug-like molecule.

MolNameN-[(Z)-[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
MolecularFormulaC23H16N6O2Br2Cl2
SmilesO=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c1cc(Br)cc(Br)c1OCc(ccc(Cl)c1)c1Cl
InChIInChI=1S/C23H16Br2Cl2N6O2/c24-17-8-16(22(19(25)9-17)35-13-15-6-7-18(26)10-20(15)27)11-28-29-21(34)12-33-31-23(30-32-33)14-4-2-1-3-5-14/h1-11H,12-13H2,(H,29,34)
InChIKVSKZXDTZRHUWIW-UHFFFAOYSA-N
TotalMolweight639.134
Molweight639.134
MonoisotopicMass635.90785
CLogP6.5234
CLogS-8.27
H Acceptors8
H Donors1
TotalSurfaceArea397.61
Relative PSA0.21576
PolarSurfaceArea94.29
Druglikeness-1.0782
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.6
Fragments1
Non HAtoms35
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond8
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms3
Symmetricatoms2
Aromatic Nitrogens4
StereoCon

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