4-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]benzoic acid
Molecular Formula : C16H14N2O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]benzoic acid is a drug-like molecule.
MolName : 4-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]benzoic acid |
MolecularFormula : C16H14N2O4 |
Smiles : OC(c(cc1)ccc1N/N=C\c(cc1)cc2c1OCCO2)=O |
InChI : InChI=1S/C16H14N2O4/c19-16(20)12-2-4-13(5-3-12)18-17-10-11-1-6-14-15(9-11)22-8-7-21-14/h1-6,9-10,18H,7-8H2,(H,19,20) |
InChIK : LNTBBIDMQSIVJG-UHFFFAOYSA-N |
TotalMolweight : 298.297 |
Molweight : 298.297 |
MonoisotopicMass : 298.095358 |
CLogP : 4.3048 |
CLogS : -3.344 |
H Acceptors : 6 |
H Donors : 2 |
TotalSurfaceArea : 227.36 |
Relative PSA : 0.30397 |
PolarSurfaceArea : 80.15 |
Druglikeness : -5.3463 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.68182 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 5 |
Symmetricatoms : 2 |
AcidicOxygens : 1 |
StereoCon : |