N-(4-bromophenyl)-2-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]oxyacetamide

Formula:C14H13N4O3Br Mutagenic:none Tumorigenic:high Reproductive Effective:none N-(4-bromophenyl)-2-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]oxyacetamide is a drug-like molecule.

MolName	N-(4-bromophenyl)-2-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]oxyacetamide
MolecularFormula	C14H13N4O3Br
Smiles	O=C(CO/N=C1/c2nonc2CCC1)Nc(cc1)ccc1Br
InChI	InChI=1S/C14H13BrN4O3/c15-9-4-6-10(7-5-9)16-13(20)8-21-17-11-2-1-3-12-14(11)19-22-18-12/h4-7H,1-3,8H2,(H,16,20)
InChIK	INUTWYZPTHNLRK-UHFFFAOYSA-N
TotalMolweight	365.186
Molweight	365.186
MonoisotopicMass	364.017102
CLogP	3.2272
CLogS	-3.667
H Acceptors	7
H Donors	1
TotalSurfaceArea	242.58
Relative PSA	0.33828
PolarSurfaceArea	89.61
Druglikeness	-1.5959
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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