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

Formula:C10H8N5O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 4-chlorobenzoate is a drug-like molecule.

MolName	[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 4-chlorobenzoate
MolecularFormula	C10H8N5O3Cl
Smiles	N/C(/c1nonc1N)=N/OC(c(cc1)ccc1Cl)=O
InChI	InChI=1S/C10H8ClN5O3/c11-6-3-1-5(2-4-6)10(17)18-15-8(12)7-9(13)16-19-14-7/h1-4H,(H2,12,15)(H2,13,16)
InChIK	YALSIULNZSVFFZ-UHFFFAOYSA-N
TotalMolweight	281.659
Molweight	281.659
MonoisotopicMass	281.031567
CLogP	1.9175
CLogS	-3.14
H Acceptors	8
H Donors	2
TotalSurfaceArea	203.41
Relative PSA	0.49722
PolarSurfaceArea	129.62
Druglikeness	-2.4154
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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