MolName : (NZ)-N-(2,3-dihydrobenzo[f]chromen-1-ylidene)hydroxylamine |
MolecularFormula : C13H11NO2 |
Smiles : O/N=C1\c(c2ccccc2cc2)c2OCC1 |
InChI : InChI=1S/C13H11NO2/c15-14-11-7-8-16-12-6-5-9-3-1-2-4-10(9)13(11)12/h1-6,15H,7-8H2 |
InChIK : VJMREEHQQHXSGS-UHFFFAOYSA-N |
TotalMolweight : 213.235 |
Molweight : 213.235 |
MonoisotopicMass : 213.078979 |
CLogP : 3.4924 |
CLogS : -4.415 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 161.2 |
Relative PSA : 0.2147 |
PolarSurfaceArea : 41.82 |
Druglikeness : -1.469 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.5 |
Fragments : 1 |
Non HAtoms : 16 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 10 |
Sp3Atoms : 4 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |