2-(1,3-benzodioxol-5-ylamino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide

Formula:C16H14N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(1,3-benzodioxol-5-ylamino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-(1,3-benzodioxol-5-ylamino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide
MolecularFormula	C16H14N3O3Cl
Smiles	O=C(CNc(cc1)cc2c1OCO2)N/N=C/c(cccc1)c1Cl
InChI	InChI=1S/C16H14ClN3O3/c17-13-4-2-1-3-11(13)8-19-20-16(21)9-18-12-5-6-14-15(7-12)23-10-22-14/h1-8,18H,9-10H2,(H,20,21)
InChIK	GXBOYODLZPSARC-UHFFFAOYSA-N
TotalMolweight	331.758
Molweight	331.758
MonoisotopicMass	331.072369
CLogP	3.2109
CLogS	-4.99
H Acceptors	6
H Donors	2
TotalSurfaceArea	247.89
Relative PSA	0.27218
PolarSurfaceArea	71.95
Druglikeness	4.8851
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Amines	1
Aromatic Amines	1
StereoCon

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