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

Formula:C10H7N5O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 3,4-dichlorobenzoate is a drug-like molecule.

MolName	[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 3,4-dichlorobenzoate
MolecularFormula	C10H7N5O3Cl2
Smiles	N/C(/c1nonc1N)=N/OC(c(cc1)cc(Cl)c1Cl)=O
InChI	InChI=1S/C10H7Cl2N5O3/c11-5-2-1-4(3-6(5)12)10(18)19-16-8(13)7-9(14)17-20-15-7/h1-3H,(H2,13,16)(H2,14,17)
InChIK	DVFSMFQLBBOZOH-UHFFFAOYSA-N
TotalMolweight	316.104
Molweight	316.104
MonoisotopicMass	314.992594
CLogP	2.5235
CLogS	-3.876
H Acceptors	8
H Donors	2
TotalSurfaceArea	218.83
Relative PSA	0.46219
PolarSurfaceArea	129.62
Druglikeness	-2.4154
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Aromatic Nitrogens	2
StereoCon

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

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