[(E)-2,3-dihydrochromen-4-ylideneamino] 2-chlorobenzoate
Molecular Formula : C16H12NO3Cl | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(E)-2,3-dihydrochromen-4-ylideneamino] 2-chlorobenzoate is a drug-like molecule.
MolName : [(E)-2,3-dihydrochromen-4-ylideneamino] 2-chlorobenzoate |
MolecularFormula : C16H12NO3Cl |
Smiles : O=C(c(cccc1)c1Cl)O/N=C1/c(cccc2)c2OCC1 |
InChI : InChI=1S/C16H12ClNO3/c17-13-7-3-1-5-11(13)16(19)21-18-14-9-10-20-15-8-4-2-6-12(14)15/h1-8H,9-10H2 |
InChIK : JZQKLCWYKDKUQH-UHFFFAOYSA-N |
TotalMolweight : 301.728 |
Molweight : 301.728 |
MonoisotopicMass : 301.050571 |
CLogP : 4.6078 |
CLogS : -5.001 |
H Acceptors : 4 |
TotalSurfaceArea : 223.18 |
Relative PSA : 0.19961 |
PolarSurfaceArea : 47.89 |
Druglikeness : -2.6255 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.57143 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
StereoCon : |