[(E)-2,3-dihydrochromen-4-ylideneamino] 3,4-dichlorobenzoate
Molecular Formula : C16H11NO3Cl2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(E)-2,3-dihydrochromen-4-ylideneamino] 3,4-dichlorobenzoate is not a drug-like molecule.
MolName : [(E)-2,3-dihydrochromen-4-ylideneamino] 3,4-dichlorobenzoate |
MolecularFormula : C16H11NO3Cl2 |
Smiles : O=C(c(cc1)cc(Cl)c1Cl)O/N=C1/c(cccc2)c2OCC1 |
InChI : InChI=1S/C16H11Cl2NO3/c17-12-6-5-10(9-13(12)18)16(20)22-19-14-7-8-21-15-4-2-1-3-11(14)15/h1-6,9H,7-8H2 |
InChIK : AYQREQLLXRMNMD-UHFFFAOYSA-N |
TotalMolweight : 336.173 |
Molweight : 336.173 |
MonoisotopicMass : 335.011598 |
CLogP : 5.2138 |
CLogS : -5.737 |
H Acceptors : 4 |
TotalSurfaceArea : 238.6 |
Relative PSA : 0.18671 |
PolarSurfaceArea : 47.89 |
Druglikeness : -2.6255 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.59091 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
StereoCon : |