[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 3-phenylpropanoate

Formula:C12H13N5O3 Mutagenic:high Tumorigenic:none Reproductive Effective:low [(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 3-phenylpropanoate is a drug-like molecule.

MolName	[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 3-phenylpropanoate
MolecularFormula	C12H13N5O3
Smiles	N/C(/c1nonc1N)=N\OC(CCc1ccccc1)=O
InChI	InChI=1S/C12H13N5O3/c13-11(10-12(14)17-20-15-10)16-19-9(18)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,16)(H2,14,17)
InChIK	NDHSOXKSYVHCGT-UHFFFAOYSA-N
TotalMolweight	275.267
Molweight	275.267
MonoisotopicMass	275.10184
CLogP	1.764
CLogS	-2.639
H Acceptors	8
H Donors	2
TotalSurfaceArea	215.51
Relative PSA	0.46931
PolarSurfaceArea	129.62
Druglikeness	-5.7715
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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