3-(1,3-benzodioxol-5-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

Formula:C18H14N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(1,3-benzodioxol-5-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is a drug-like molecule.

MolName	3-(1,3-benzodioxol-5-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
MolecularFormula	C18H14N4O4
Smiles	Oc1cccc(/C=N\NC(c2cc(-c(cc3)cc4c3OCO4)n[nH]2)=O)c1
InChI	InChI=1S/C18H14N4O4/c23-13-3-1-2-11(6-13)9-19-22-18(24)15-8-14(20-21-15)12-4-5-16-17(7-12)26-10-25-16/h1-9,23H,10H2,(H,20,21)(H,22,24)
InChIK	GSMLKIZHAYRAHI-UHFFFAOYSA-N
TotalMolweight	350.333
Molweight	350.333
MonoisotopicMass	350.101506
CLogP	2.6651
CLogS	-4.511
H Acceptors	8
H Donors	3
TotalSurfaceArea	261.69
Relative PSA	0.35947
PolarSurfaceArea	108.83
Druglikeness	5.4886
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Aromatic Nitrogens	2
StereoCon

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