N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-bromobenzamide
Molecular Formula : C17H14N3O4Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-bromobenzamide is a drug-like molecule.
MolName : N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-bromobenzamide |
MolecularFormula : C17H14N3O4Br |
Smiles : O=C(CNC(c(cccc1)c1Br)=O)N/N=C\c(cc1)cc2c1OCO2 |
InChI : InChI=1S/C17H14BrN3O4/c18-13-4-2-1-3-12(13)17(23)19-9-16(22)21-20-8-11-5-6-14-15(7-11)25-10-24-14/h1-8H,9-10H2,(H,19,23)(H,21,22) |
InChIK : AFUZDKWDTPYAMR-UHFFFAOYSA-N |
TotalMolweight : 404.219 |
Molweight : 404.219 |
MonoisotopicMass : 403.016768 |
CLogP : 3.1219 |
CLogS : -5.033 |
H Acceptors : 7 |
H Donors : 2 |
TotalSurfaceArea : 268.85 |
Relative PSA : 0.29946 |
PolarSurfaceArea : 89.02 |
Druglikeness : 3.4039 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.64 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
Amides : 1 |
StereoCon : |
1 - N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-bromobenzamide
2 - N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-bromobenzamide
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