2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

Formula:C18H17N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C18H17N3O3
Smiles	O=C(CNc(cc1)cc2c1OCO2)N/N=C\C=C\c1ccccc1
InChI	InChI=1S/C18H17N3O3/c22-18(21-20-10-4-7-14-5-2-1-3-6-14)12-19-15-8-9-16-17(11-15)24-13-23-16/h1-11,19H,12-13H2,(H,21,22)
InChIK	RPWWYMLDVZAUIG-UHFFFAOYSA-N
TotalMolweight	323.351
Molweight	323.351
MonoisotopicMass	323.126992
CLogP	2.6232
CLogS	-4.546
H Acceptors	6
H Donors	2
TotalSurfaceArea	258.97
Relative PSA	0.26053
PolarSurfaceArea	71.95
Druglikeness	4.9129
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amines	1
Aromatic Amines	1
StereoCon

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