N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-chlorobenzamide

Formula:C12H10N5OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-chlorobenzamide is a drug-like molecule.

MolNameN-[(E)-[amino(pyrazin-2-yl)methylidene]amino]-2-chlorobenzamide
MolecularFormulaC12H10N5OCl
SmilesN/C(/c1nccnc1)=N/NC(c(cccc1)c1Cl)=O
InChIInChI=1S/C12H10ClN5O/c13-9-4-2-1-3-8(9)12(19)18-17-11(14)10-7-15-5-6-16-10/h1-7H,(H2,14,17)(H,18,19)
InChIKACXCWRGZGZTJOI-UHFFFAOYSA-N
TotalMolweight275.698
Molweight275.698
MonoisotopicMass275.057387
CLogP1.0138
CLogS-2.656
H Acceptors6
H Donors2
TotalSurfaceArea206.66
Relative PSA0.3543
PolarSurfaceArea93.26
Druglikeness3.1057
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.63158
Fragments1
Non HAtoms19
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Aromatic Nitrogens2
StereoCon

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