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

Formula:C25H19N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-chloro-N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide is a drug-like molecule.

MolName	4-chloro-N-[(Z)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
MolecularFormula	C25H19N4O3Cl
Smiles	O=C(c(cc1)ccc1Cl)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2
InChI	InChI=1S/C25H19ClN4O3/c26-20-9-6-17(7-10-20)25(31)28-27-15-19-16-30(21-4-2-1-3-5-21)29-24(19)18-8-11-22-23(14-18)33-13-12-32-22/h1-11,14-16H,12-13H2,(H,28,31)
InChIK	HHAZDYOZDUINED-UHFFFAOYSA-N
TotalMolweight	458.904
Molweight	458.904
MonoisotopicMass	458.114568
CLogP	4.7054
CLogS	-6.152
H Acceptors	7
H Donors	1
TotalSurfaceArea	343.91
Relative PSA	0.21474
PolarSurfaceArea	77.74
Druglikeness	-1.2971
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	4
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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