(3Z)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1H-indol-2-one
Molecular Formula : C17H13NO3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |(3Z)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1H-indol-2-one is a drug-like molecule.
MolName : (3Z)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-1H-indol-2-one |
MolecularFormula : C17H13NO3 |
Smiles : O=C1Nc(cccc2)c2/C1=C/c(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C17H13NO3/c19-17-13(12-3-1-2-4-14(12)18-17)9-11-5-6-15-16(10-11)21-8-7-20-15/h1-6,9-10H,7-8H2,(H,18,19) |
InChIK : JKKFHYVBTVKREJ-UHFFFAOYSA-N |
TotalMolweight : 279.294 |
Molweight : 279.294 |
MonoisotopicMass : 279.089544 |
CLogP : 2.2445 |
CLogS : -3.551 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 207.46 |
Relative PSA : 0.2145 |
PolarSurfaceArea : 47.56 |
Druglikeness : -4.4563 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : |
Shape Index : 0.57143 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 1 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
Amides : 1 |
StereoCon : |