N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide

Formula:C25H20N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide is a drug-like molecule.

MolName	N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
MolecularFormula	C25H20N4O4
Smiles	Oc(cc1)ccc1C(N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2)=O
InChI	InChI=1S/C25H20N4O4/c30-21-9-6-17(7-10-21)25(31)27-26-15-19-16-29(20-4-2-1-3-5-20)28-24(19)18-8-11-22-23(14-18)33-13-12-32-22/h1-11,14-16,30H,12-13H2,(H,27,31)
InChIK	DGLWZZJRNOWKAG-UHFFFAOYSA-N
TotalMolweight	440.458
Molweight	440.458
MonoisotopicMass	440.148456
CLogP	3.7537
CLogS	-5.12
H Acceptors	8
H Donors	2
TotalSurfaceArea	334.84
Relative PSA	0.25968
PolarSurfaceArea	97.97
Druglikeness	-1.3383
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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