[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] naphthalene-1-carboxylate

Formula:C14H11N5O3 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] naphthalene-1-carboxylate is a drug-like molecule.

MolName	[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] naphthalene-1-carboxylate
MolecularFormula	C14H11N5O3
Smiles	N/C(/c1nonc1N)=N/OC(c1cccc2ccccc12)=O
InChI	InChI=1S/C14H11N5O3/c15-12(11-13(16)19-22-17-11)18-21-14(20)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,15,18)(H2,16,19)
InChIK	XWROVSLREMEDLA-UHFFFAOYSA-N
TotalMolweight	297.273
Molweight	297.273
MonoisotopicMass	297.08619
CLogP	2.5059
CLogS	-4.01
H Acceptors	8
H Donors	2
TotalSurfaceArea	222.59
Relative PSA	0.45438
PolarSurfaceArea	129.62
Druglikeness	-2.5052
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Aromatic Nitrogens	2
StereoCon

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