N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1H-indole-3-carboxamide
Molecular Formula : C18H15N3O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1H-indole-3-carboxamide is a drug-like molecule.
MolName : N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1H-indole-3-carboxamide |
MolecularFormula : C18H15N3O3 |
Smiles : O=C(c1c[nH]c2c1cccc2)N/N=C\c(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C18H15N3O3/c22-18(14-11-19-15-4-2-1-3-13(14)15)21-20-10-12-5-6-16-17(9-12)24-8-7-23-16/h1-6,9-11,19H,7-8H2,(H,21,22) |
InChIK : UAVNXDZOBLUSDM-UHFFFAOYSA-N |
TotalMolweight : 321.335 |
Molweight : 321.335 |
MonoisotopicMass : 321.111342 |
CLogP : 3.2198 |
CLogS : -4.428 |
H Acceptors : 6 |
H Donors : 2 |
TotalSurfaceArea : 245.18 |
Relative PSA : 0.2855 |
PolarSurfaceArea : 75.71 |
Druglikeness : -1.7726 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.625 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 3 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 15 |
Sp3Atoms : 4 |
Aromatic Nitrogens : 1 |
StereoCon : |