[(E)-[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate
Molecular Formula : C14H10N2O2BrCl | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(E)-[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate is a drug-like molecule.
MolName : [(E)-[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate |
MolecularFormula : C14H10N2O2BrCl |
Smiles : N/C(/c(cc1)ccc1Br)=N/OC(c(cc1)ccc1Cl)=O |
InChI : InChI=1S/C14H10BrClN2O2/c15-11-5-1-9(2-6-11)13(17)18-20-14(19)10-3-7-12(16)8-4-10/h1-8H,(H2,17,18) |
InChIK : XZGQGIQFLVUWGO-UHFFFAOYSA-N |
TotalMolweight : 353.602 |
Molweight : 353.602 |
MonoisotopicMass : 351.961416 |
CLogP : 4.4033 |
CLogS : -5.106 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 226.31 |
Relative PSA : 0.22014 |
PolarSurfaceArea : 64.68 |
Druglikeness : -4.4501 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.7 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 1 |
Symmetricatoms : 4 |
StereoCon : |