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1-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]-N-(2-hydroxyethyl)pyridin-1-ium-4-carboxamide

Formula:C24H23N6O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]-N-(2-hydroxyethyl)pyridin-1-ium-4-carboxamide is not a drug-like molecule.
MolName1-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]-N-(2-hydroxyethyl)pyridin-1-ium-4-carboxamide
MolecularFormulaC24H23N6O8
Smiles[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/C[n+](cc1)ccc1C(NCCO)=O)\c(cc1)cc2c1OCCO2)=O
InChIInChI=1S/C24H22N6O8/c31-10-7-25-24(32)16-5-8-28(9-6-16)15-20(17-1-4-22-23(13-17)38-12-11-37-22)27-26-19-3-2-18(29(33)34)14-21(19)30(35)36/h1-6,8-9,13-14,26,31H,7,10-12,15H2/p+1
InChIKBVDFDQSBXRRJHU-UHFFFAOYSA-O
TotalMolweight523.481
Molweight523.481
MonoisotopicMass523.157739
CLogP-2.1533
CLogS-3.914
H Acceptors14
H Donors3
TotalSurfaceArea382.71
Relative PSA0.37671
PolarSurfaceArea187.7
Druglikeness-9.2092
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro
Shape Index0.5
Fragments1
Non HAtoms38
NonCHAtoms14
Electronegative Atoms14
Rotatable Bond10
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms10
Symmetricatoms2
Amides1
Aromatic Nitrogens1
AcidicOxygens2
StereoCon

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