N-[(Z)-2,1,3-benzoxadiazol-5-ylmethylideneamino]-2-hydroxybenzamide

Formula:C14H10N4O3 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-2,1,3-benzoxadiazol-5-ylmethylideneamino]-2-hydroxybenzamide is a drug-like molecule.

MolNameN-[(Z)-2,1,3-benzoxadiazol-5-ylmethylideneamino]-2-hydroxybenzamide
MolecularFormulaC14H10N4O3
SmilesOc(cccc1)c1C(N/N=C\c1cc2nonc2cc1)=O
InChIInChI=1S/C14H10N4O3/c19-13-4-2-1-3-10(13)14(20)16-15-8-9-5-6-11-12(7-9)18-21-17-11/h1-8,19H,(H,16,20)
InChIKCESHCKFNQBAEAV-UHFFFAOYSA-N
TotalMolweight282.258
Molweight282.258
MonoisotopicMass282.075291
CLogP2.8066
CLogS-3.064
H Acceptors7
H Donors2
TotalSurfaceArea215.15
Relative PSA0.39582
PolarSurfaceArea100.61
Druglikeness5.7031
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.61905
Fragments1
Non HAtoms21
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond3
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms1
Aromatic Nitrogens2
StereoCon

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