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

Formula:C10H9N6O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] N-(3-chlorophenyl)carbamate is a drug-like molecule.

MolName[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
MolecularFormulaC10H9N6O3Cl
SmilesN/C(/c1nonc1N)=N/OC(Nc1cccc(Cl)c1)=O
InChIInChI=1S/C10H9ClN6O3/c11-5-2-1-3-6(4-5)14-10(18)19-16-8(12)7-9(13)17-20-15-7/h1-4H,(H2,12,16)(H2,13,17)(H,14,18)
InChIKYYPLGXMYILLXNI-UHFFFAOYSA-N
TotalMolweight296.673
Molweight296.673
MonoisotopicMass296.042466
CLogP1.9114
CLogS-3.656
H Acceptors9
H Donors3
TotalSurfaceArea214.87
Relative PSA0.52404
PolarSurfaceArea141.65
Druglikeness-5.4248
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.6
Fragments1
Non HAtoms20
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond4
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms1
Amides1
Aromatic Nitrogens2
StereoCon

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